SCHEMBL127479

SCHEMBL127479

c1ncc2ncncc2n1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.50
HSP90AA1 P07900 2/20 0.37
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
CDC25B P30305 1/20 0.32
PIK3CG P48736 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
RPS6KA5 O75582 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
HBB P68871 1/20 0.31
KMT2A Q03164 1/20 0.31
FDPS P14324 1/20 0.31
RPS6KA4 O75676 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28003243 0.96 EGFR (0.48) EGFRHSP90AA1PIK3CDPIK3CACDC25B
SCHEMBL30148832 0.79 EGFR (0.37) EGFR
SCHEMBL29367065 0.79 EGFR (0.52) EGFRPIK3CDPIK3CAALDH1A1CYP1A2
SCHEMBL51486 0.79 EGFR (0.52) EGFRPIK3CDPIK3CAALDH1A1CYP1A2
SCHEMBL28742280 0.79 EGFR (0.52) EGFRPIK3CDPIK3CAALDH1A1CYP1A2
SCHEMBL9535264 0.77 EGFR (0.36) EGFRPIK3CDPIK3CA
SCHEMBL5763741 0.77 EGFR (0.53) EGFRHSP90AA1PIK3CDPIK3CA
SCHEMBL3941600 0.77 EGFR (0.35) EGFR
SCHEMBL3970860 0.77 MAP4K4 (0.38) EGFRPIK3CDPIK3CAPIK3CG
Hydrochloric Acid SCHEMBL30980980 0.77 EGFR (0.50) EGFRPIK3CDPIK3CAALDH1A1CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 4595 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240166770-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF CELL-PENETRATING ANTIBODIES YALE UNIVERSITY 2024-05-23 US claimed
EP-4326723-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2024-02-28 EP claimed
CN-117177975-A Pyrimido [5,4, D ] pyrimidine compounds, compositions comprising the same and uses thereof 蒙特利尔大学 2023-12-05 CN claimed
EP-4110784-A1 PYRIMIDO[5,4-D]PYRIMIDINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS iTeos Belgium SA (BE) 2023-01-04 EP claimed
WO-2022221940-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF UNIVERSITE DE MONTREAL (CA) 2022-10-27 WO claimed
CN-114763352-A GLP-1 receptor agonist and application thereof in medicine 海思科医药集团股份有限公司 2022-07-19 CN claimed
US-20220024876-A1 SMALL MOLECULE INHIBITION OF SULFOTRANSFERASE SULT1A3 UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-01-27 US claimed
WO-2021077070-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF CELL-PENETRATING ANTIBODIES YALE UNIVERSITY (US) 2021-04-22 WO claimed
WO-2021063145-A1 TETRACYCLIC PYRIMIDINONE COMPOUND, PREPARATION METHOD THEREFOR, AND COMPOSITION AND USE THEREOF 上海纽思克生物科技有限公司 2021-04-08 WO claimed
WO-2020123482-A1 SMALL MOLECULE INHIBITION OF SULFOTRANSFERASE SULT1A3 UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-06-18 WO claimed
US-4579679-A Electroactive polymers CHEVRON RESEARCH COMPANY (US) 1986-04-01 US claimed
US-4568676-A SYNERGISTIC INHIBITION THOMAS JEFFERSON UNIVERSITY (US) 1986-02-04 US claimed
EP-0169465-A2 Mixture of pyrimido-pyrimidines and O-acetyl-salicylic acid, or their pharmacologically acceptable salts, and its use HOECHST AKTIENGESELLSCHAFT (DE) 1986-01-29 EP claimed
EP-0163599-A2 Pyrimidopyrimidine derivatives, processes for producing them, pharmaceutical compositions containing them and their use as anti-allergic agents NIPPON ZOKI PHARMACEUTICAL CO. LTD. (JP) 1985-12-04 EP claimed
EP-0145337-A2 Electrochromic devices CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1985-06-19 EP claimed
EP-0055444-B1 TRISUBSTITUTED PYRIMIDO(5,4-D)PYRIMIDINES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1985-03-20 EP claimed
EP-0023559-B1 2-(PERHYDRO-1,4-DIAZINO)-PYRIMIDO(5,4-D)PYRIMIDINES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1984-09-19 EP claimed
EP-0055444-A2 Trisubstituted pyrimido(5,4-d)pyrimidines, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1982-07-07 EP claimed
EP-0023559-A1 2-(Perhydro-1,4-diazino)-pyrimido(5,4-d)pyrimidines, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1981-02-11 EP claimed
EP-0000774-B1 ANTITHROMBOTIC MEDICATIVE COMBINATION AND PROCESS FOR ITS PREPARATION Dr. Karl Thomae GmbH (DE) 1980-05-28 EP claimed