SCHEMBL29914431

SCHEMBL29914431

CC(C)[C@H]1CN(c2ccc(-c3cnc(N)c(-c4ccc5c(c4)CCNC5=O)c3)c(F)c2)CCN1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.46
▸ CCNT1 O60563 1/20 0.41
▸ CDK4 P11802 1/20 0.41
▸ CCNA2 P20248 1/20 0.41
▸ CCND1 P24385 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ CCND3 P30281 1/20 0.41
▸ CDK7 P50613 1/20 0.41
▸ CDK9 P50750 1/20 0.41
▸ CCNH P51946 1/20 0.41
▸ MNAT1 P51948 1/20 0.41
▸ CDK6 Q00534 1/20 0.41
▸ ACVR1 Q04771 5/20 0.41
▸ TGFBR1 P36897 4/20 0.41
▸ BMPR1B O00238 2/20 0.41
▸ BMPR1A P36894 2/20 0.41
▸ ACVRL1 P37023 2/20 0.41
▸ MAPKAPK2 P49137 6/20 0.38
▸ PARP10 Q53GL7 1/20 0.38
▸ PARP11 Q9NR21 1/20 0.38

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
SCHEMBL29914502 1.00 MAPK1 (0.46) MAPK1CCNT1CDK4CCNA2CCND1
SCHEMBL24680865 1.00 MAPK1 (0.46) MAPK1CCNT1CDK4CCNA2CCND1
SCHEMBL24680864 1.00 MAPK1 (0.46) MAPK1CCNT1CDK4CCNA2CCND1
SCHEMBL24680736 1.00 MAPK1 (0.46) MAPK1CCNT1CDK4CCNA2CCND1
SCHEMBL24680717 0.91 MAPK1 (0.51) MAPK1ACVR1TGFBR1MAPKAPK2FYN
SCHEMBL29914506 0.91 MAPK1 (0.51) MAPK1ACVR1TGFBR1MAPKAPK2FYN
SCHEMBL24681141 0.91 MAPK1 (0.51) MAPK1ACVR1TGFBR1MAPKAPK2FYN
SCHEMBL27157551 0.89 CDK4 (0.45) MAPK1CCNT1CDK4CCNA2CCND1
SCHEMBL27204230 0.89 CDK4 (0.45) MAPK1CCNT1CDK4CCNA2CCND1
SCHEMBL27157530 0.89 CDK4 (0.45) MAPK1CCNT1CDK4CCNA2CCND1

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
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