SCHEMBL29914501

SCHEMBL29914501

Nc1ncc(-c2ccc(N3CC[C@H](F)C3)cc2)cc1-c1ccc2c(c1)CCNC2=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.57
TGFBR1 P36897 7/20 0.43
ACVR1 Q04771 6/20 0.43
MAPKAPK2 P49137 5/20 0.43
CCNT1 O60563 1/20 0.43
CDK4 P11802 1/20 0.43
CCNA2 P20248 1/20 0.43
CCND1 P24385 1/20 0.43
CDK2 P24941 1/20 0.43
CCND3 P30281 1/20 0.43
CDK7 P50613 1/20 0.43
CDK9 P50750 1/20 0.43
CCNH P51946 1/20 0.43
MNAT1 P51948 1/20 0.43
CDK6 Q00534 1/20 0.43
GSK3B P49841 1/20 0.43
PARP10 Q53GL7 2/20 0.42
PARP11 Q9NR21 2/20 0.42
FYN P06241 2/20 0.42
RIPK2 O43353 1/20 0.42

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
SCHEMBL29914388 1.00 MAPK1 (0.57) MAPK1TGFBR1ACVR1MAPKAPK2CCNT1
SCHEMBL24680704 1.00 MAPK1 (0.57) MAPK1TGFBR1ACVR1MAPKAPK2CCNT1
SCHEMBL24680727 1.00 MAPK1 (0.57) MAPK1TGFBR1ACVR1MAPKAPK2CCNT1
SCHEMBL24681101 1.00 MAPK1 (0.57) MAPK1TGFBR1ACVR1MAPKAPK2CCNT1
SCHEMBL24680712 0.94 MAPK1 (0.61) MAPK1TGFBR1ACVR1MAPKAPK2CCNT1
SCHEMBL29914605 0.94 MAPK1 (0.61) MAPK1TGFBR1ACVR1MAPKAPK2CCNT1
SCHEMBL24680734 0.88 MAPK1 (0.54) MAPK1TGFBR1ACVR1MAPKAPK2FYN
SCHEMBL24680869 0.88 MAPK1 (0.54) MAPK1TGFBR1ACVR1MAPKAPK2GSK3B
SCHEMBL24681104 0.88 MAPK1 (0.54) MAPK1TGFBR1ACVR1MAPKAPK2GSK3B
SCHEMBL24680768 0.88 MAPK1 (0.54) MAPK1TGFBR1ACVR1MAPKAPK2FYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022226667-A1 SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-11-03 WO disclosed