SCHEMBL29409337

SCHEMBL29409337

c1cc2ncncc2cn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.60
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
MKNK2 Q9HBH9 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
CSNK1D P48730 1/20 0.37
CSNK1E P49674 1/20 0.37
CLK1 P49759 1/20 0.37
DYRK1A Q13627 1/20 0.37
HSP90AA1 P07900 1/20 0.37
FGFR4 P22455 1/20 0.37
TDO2 P48775 1/20 0.36
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
RPS6KA5 O75582 1/20 0.35
RPS6KA4 O75676 1/20 0.35

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
SCHEMBL137377 1.00 EGFR (0.60) EGFRPIK3CDPIK3CAMKNK2KDM4E
Hydrochloric Acid SCHEMBL31066682 0.98 EGFR (0.58) EGFRPIK3CDPIK3CAMKNK2KDM4E
Hydrochloric Acid SCHEMBL322987 0.98 EGFR (0.58) EGFRPIK3CDPIK3CAMKNK2KDM4E
SCHEMBL29409356 0.83 EGFR (0.58) EGFRPIK3CDPIK3CAMKNK2KDM4E
SCHEMBL88606 0.83 EGFR (0.58) EGFRPIK3CDPIK3CAMKNK2KDM4E
SCHEMBL29976830 0.82 EGFR (0.47) EGFRPIK3CDPIK3CAMKNK2KDM4E
Trifluoroacetic Acid SCHEMBL30391689 0.82 EGFR (0.43) EGFR
Trifluoroacetic Acid SCHEMBL29977443 0.82 EGFR (0.43) EGFR
Hydrochloric Acid SCHEMBL30749407 0.81 EGFR (0.56) EGFRPIK3CDPIK3CAMKNK2KDM4E
Hydrochloric Acid SCHEMBL30749417 0.81 EGFR (0.56) EGFRPIK3CDPIK3CAMKNK2KDM4E

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

Claimed or disclosed in 185 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118307534-A LTA4H inhibitors and uses thereof 上海海雁医药科技有限公司 2024-07-09 CN claimed
CN-117980310-A Alkylene derivatives as KRAS inhibitors 尼坎治疗公司 2024-05-03 CN claimed
WO-2023284730-A1 ALKYLIDENE DERIVATIVES AS KRAS INHIBITORS NIKANG THERAPEUTICS, INC. (US) 2023-01-19 WO claimed
CN-114085220-A Substituted morpholine-4-carboxylic ester derivatives, their compositions and their medical use 上海海雁医药科技有限公司 2022-02-25 CN claimed
CN-122094949-A Compound for organic electronic element, organic electronic element using the same, and electronic device using the same 2026-05-26 CN disclosed
CN-122069897-A Organic light emitting display and electronic device thereof 德山新勒克斯有限公司 2026-05-19 CN disclosed
WO-2026078529-A1 SOLID AND DEUTERATED FORMS OF PYRIDO[4,3-D]PYRIMIDINE COMPOUNDS PFIZER INC. (US) 2026-04-16 WO disclosed
WO-2026078529-A1 SOLID AND DEUTERATED FORMS OF PYRIDO[4,3-D]PYRIMIDINE COMPOUNDS PFIZER INC. (US) 2026-04-16 WO disclosed
EP-4705301-A2 PYRIDO[4,3-D]PYRIMIDINE DERIVATIVES AS MUTANT KRAS G12C INHIBITORS FOR THE TREATMENT OF CANCER Frontier Medicines Corporation (US) 2026-03-11 EP disclosed
EP-4705300-A1 PYRIDO[4,3-D]PYRIMIDINE DERIVATIVES AS MUTANT KRAS G12C INHIBITORS FOR THE TREATMENT OF CANCER Frontier Medicines Corporation (US) 2026-03-11 EP disclosed
EP-4705302-A1 PYRIDO[4,3-D]PYRIMIDINE DERIVATIVES AS MUTANT KRAS G12C INHIBITORS FOR THE TREATMENT OF CANCER Frontier Medicines Corporation (US) 2026-03-11 EP disclosed
EP-4705302-A1 PYRIDO[4,3-D]PYRIMIDINE DERIVATIVES AS MUTANT KRAS G12C INHIBITORS FOR THE TREATMENT OF CANCER Frontier Medicines Corporation (US) 2026-03-11 EP disclosed
CN-114616265-A Production of lignin fragments with functional groups 洛桑联邦理工学院 2022-06-10 CN disclosed
CN-114478528-A Aroyl-substituted tricyclic compound, preparation method and application thereof 劲方医药科技(上海)有限公司 2022-05-13 CN disclosed
CN-114380945-A Resin, resin composition and display device using the same 德山新勒克斯有限公司 2022-04-22 CN disclosed
WO-2022075486-A1 NOVEL BICYCLIC COMPOUNDS Prism BioLab Co., Ltd. (JP) 2022-04-14 WO disclosed
CN-114269751-A Optically pure oxaspiro-substituted pyrrolopyrazole derivatives, preparation method and medical application thereof 上海海雁医药科技有限公司 2022-04-01 CN disclosed
WO-2022063101-A1 AROYL SUBSTITUTED TRICYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2022-03-31 WO disclosed
CN-114222743-A Oxoaxamembered ring pyrimidine compounds, preparation method and medical application thereof 劲方医药科技(上海)有限公司 2022-03-22 CN disclosed
CN-114085220-A Substituted morpholine-4-carboxylic ester derivatives, their compositions and their medical use 上海海雁医药科技有限公司 2022-02-25 CN disclosed