SCHEMBL4429268

SCHEMBL4429268

O=C(Nc1ccccc1)c1cncnc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.73
HTT P42858 1/20 0.65
JAK2 O60674 1/20 0.59
TYK2 P29597 1/20 0.59
NAMPT P43490 2/20 0.59
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
PTPN1 P18031 3/20 0.58
KCNK3 O14649 2/20 0.57
SIRT1 Q96EB6 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
LMNA P02545 1/20 0.56
HIF1A Q16665 1/20 0.56
P4HTM Q9NXG6 1/20 0.56
ROCK2 O75116 1/20 0.54
ROCK1 Q13464 1/20 0.54

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
Hydrochloric Acid SCHEMBL30423427 0.98 BCAT2 (0.71) BCAT2HTTJAK2TYK2NAMPT
SCHEMBL18979446 0.90 PTPN1 (0.66) BCAT2HTTJAK2TYK2NAMPT
SCHEMBL4243217 0.85 BCAT2 (1.00) BCAT2HTTJAK2TYK2NAMPT
Nicotinanilide SCHEMBL352439 0.81 LMNA (0.83) HTTJAK2TYK2NAMPTNPC1
SCHEMBL27727308 0.81 POLB (0.67) BCAT2NPC1RAB9AKDM4ELMNA
SCHEMBL10338266 0.81 PTPN1 (0.61) BCAT2NPC1RAB9APTPN1P4HTM
Nicotinanilide SCHEMBL29067673 0.81 LMNA (0.83) HTTJAK2TYK2NAMPTNPC1
Nicotinanilide SCHEMBL8155304 0.80 LMNA (0.81) HTTJAK2TYK2NAMPTNPC1
SCHEMBL24202631 0.79 SIRT1 (0.83) HTTJAK2TYK2NPC1RAB9A
N-Phenylbenzamide SCHEMBL31966 0.79 SIRT1 (0.83) HTTJAK2TYK2NPC1RAB9A

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6032784-A None JP disclosed
JP-2019316-A None JP disclosed
EP-4642767-A1 PYRIMIDINE CARBOXAMIDE COMPOUNDS Acrivon Therapeutics, Inc. (US) 2025-11-05 EP disclosed
WO-2024145505-A1 PYRIMIDINE CARBOXAMIDE COMPOUNDS ACRIVON THERAPEUTICS, INC. (US) 2024-07-04 WO disclosed
WO-2015157127-A1 THERAPUETIC USES OF SELECTED PYRIMIDINE COMPOUNDS WITH ANTI-MER TYROSINE KINASE ACTIVITY THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2015-10-15 WO disclosed
WO-2014062938-A1 RORY MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-24 WO disclosed
EP-2132196-A1 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES Pfizer Products Inc. (US) 2009-12-16 EP disclosed
WO-2008104869-A1 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES PFIZER PRODUCTS INC. (US) 2008-09-04 WO disclosed
JP-H0632784-A 4-ALKYL-SUBSTITUTED PYRIMIDINE-5-CARBOXANILIDES, THEIR PREPARATION, COMPOSITION CONTAINING THEM AND THEIR USE AS FUNGICIDE HOECHST AG 1994-02-08 JP disclosed
EP-0569912-A1 4-alkyl-substituted pyrimidine-5-carboxanilides, process for their preparation, compositions containing them and their use as fungicides Hoechst Schering AgrEvo GmbH (DE) 1993-11-18 EP disclosed
EP-0569912-A1 4-alkyl-substituted pyrimidine-5-carboxanilides, process for their preparation, compositions containing them and their use as fungicides Hoechst Schering AgrEvo GmbH (DE) 1993-11-18 EP disclosed
EP-0569912-A1 4-alkyl-substituted pyrimidine-5-carboxanilides, process for their preparation, compositions containing them and their use as fungicides Hoechst Schering AgrEvo GmbH (DE) 1993-11-18 EP disclosed
JP-H0219316-A PHARMACEUTICAL COMPOSITION FOR TREATMENT OF LEUKEMIA UNIROYAL CHEM CO INC 1990-01-23 JP disclosed
CN-1038450-A The 5-pyrimidine carboxamide analog derivative that replaces UNIROYAL CHEM CO INC (US) 1990-01-03 CN disclosed