SCHEMBL29520459

SCHEMBL29520459

COc1cccc(F)c1C(=O)Nc1nc(Cl)ncc1C#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.48
ABL1 P00519 1/20 0.48
POLB P06746 2/20 0.44
PIN1 Q13526 1/20 0.43
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
KMT2A Q03164 2/20 0.40
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
HCRTR1 O43613 2/20 0.39
HCRTR2 O43614 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL29037737 1.00 SRC (0.48) SRCABL1POLBPIN1RAB9A
SCHEMBL29520601 0.86 ABL1 (0.52) SRCABL1POLBRAB9ANPC1
SCHEMBL29037823 0.86 ABL1 (0.52) SRCABL1POLBRAB9ANPC1
SCHEMBL29037792 0.84 ABL1 (0.50) SRCABL1POLBRAB9ANPC1
SCHEMBL28537072 0.81 POLB (0.52) SRCABL1POLBRAB9ACYP1A2
SCHEMBL29037793 0.76 SLC2A1 (0.56) CDK2KDR
SCHEMBL29037797 0.75 ABL1 (0.45) SRCABL1POLBRAB9ANPC1
SCHEMBL29520398 0.75 ABL1 (0.45) SRCABL1POLBRAB9ANPC1
SCHEMBL183722 0.72 POLB (0.50) SRCABL1POLBRAB9ACCNA2
SCHEMBL25139849 0.71 P2RX3 (0.41) SRCPIN1EGFRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116456985-A Pyrimidine and pyridine derivatives as HPK1 modulators and methods of use thereof 深圳市原力生命科学有限公司 2023-07-18 CN disclosed
WO-2022063140-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AS HPK1 MODULATOR AND METHODS USING SAME SHENZHEN IONOVA LIFE SCIENCE CO., LTD. (CN) 2022-03-31 WO disclosed