SCHEMBL29914601

SCHEMBL29914601

CCN1CCCC(c2ccc(-c3cnc(N)c(-c4ccc5c(c4)CCNC5=O)c3)cc2)C1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.55
GSK3B P49841 2/20 0.40
PARP10 Q53GL7 3/20 0.39
PARP11 Q9NR21 3/20 0.39
MAPKAPK2 P49137 8/20 0.39
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CCND3 P30281 1/20 0.38
CDK6 Q00534 1/20 0.38
RIPK2 O43353 1/20 0.38
NOD2 Q9HC29 1/20 0.38
LRRK2 Q5S007 3/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
MAPK9 P45984 1/20 0.37

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
SCHEMBL24680933 1.00 MAPK1 (0.55) MAPK1GSK3BPARP10PARP11MAPKAPK2
SCHEMBL24681229 0.91 MAPK1 (0.60) MAPK1GSK3BPARP10PARP11MAPKAPK2
SCHEMBL29914496 0.91 MAPK1 (0.60) MAPK1GSK3BPARP10PARP11MAPKAPK2
SCHEMBL29914516 0.90 MAPK1 (0.54) MAPK1GSK3BPARP10PARP11MAPKAPK2
SCHEMBL24680923 0.90 MAPK1 (0.54) MAPK1GSK3BPARP10PARP11MAPKAPK2
SCHEMBL24681360 0.89 MAPK1 (0.53) MAPK1GSK3BPARP10PARP11MAPKAPK2
SCHEMBL29914574 0.89 MAPK1 (0.53) MAPK1GSK3BPARP10PARP11MAPKAPK2
SCHEMBL24680934 0.89 MAPK1 (0.53) MAPK1GSK3BPARP10PARP11MAPKAPK2
SCHEMBL29914422 0.89 MAPK1 (0.53) MAPK1GSK3BPARP10PARP11MAPKAPK2
SCHEMBL24680769 0.85 MAPK1 (0.54) 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