SCHEMBL29914481

SCHEMBL29914481

CCN1CCCCC1c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.53
GSK3B P49841 2/20 0.42
PARP10 Q53GL7 3/20 0.39
PARP11 Q9NR21 3/20 0.39
MAPKAPK2 P49137 8/20 0.39
RIPK2 O43353 3/20 0.38
NOD2 Q9HC29 2/20 0.38
MAPK9 P45984 1/20 0.37
ACVR1 Q04771 3/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
CCND3 P30281 1/20 0.35
CDK6 Q00534 1/20 0.35
TGFBR1 P36897 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
SCHEMBL24680743 1.00 MAPK1 (0.53) MAPK1GSK3BPARP10PARP11MAPKAPK2
SCHEMBL24680741 0.90 MAPK1 (0.51) MAPK1GSK3BPARP10PARP11MAPKAPK2
SCHEMBL29914598 0.90 MAPK1 (0.51) MAPK1GSK3BPARP10PARP11MAPKAPK2
SCHEMBL24680742 0.89 MAPK1 (0.51) MAPK1GSK3BPARP10PARP11MAPKAPK2
SCHEMBL29914463 0.89 MAPK1 (0.51) MAPK1GSK3BPARP10PARP11MAPKAPK2
SCHEMBL24680739 0.89 MAPK1 (0.51) MAPK1GSK3BPARP10PARP11MAPKAPK2
SCHEMBL29914400 0.89 MAPK1 (0.51) MAPK1GSK3BPARP10PARP11MAPKAPK2
SCHEMBL29914558 0.88 MAPK1 (0.56) MAPK1GSK3BPARP10PARP11MAPKAPK2
SCHEMBL24681082 0.88 MAPK1 (0.56) MAPK1GSK3BPARP10PARP11MAPKAPK2
SCHEMBL31079306 0.85 MAPK1 (0.43) MAPK1GSK3BPARP10PARP11MAPKAPK2

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