SCHEMBL29914588

SCHEMBL29914588

C[C@H]1CN(c2ccc(-c3cnc(N)c(-c4ccc5c(c4)CCNC5=O)c3)cc2)CCO1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.56
TGFBR1 P36897 7/20 0.45
ACVR1 Q04771 6/20 0.45
FYN P06241 4/20 0.44
RIPK2 O43353 1/20 0.41
NOD2 Q9HC29 1/20 0.41
LRRK2 Q5S007 1/20 0.41
MAPKAPK2 P49137 6/20 0.41
MAPK9 P45984 1/20 0.41

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
SCHEMBL24681093 1.00 MAPK1 (0.56) MAPK1TGFBR1ACVR1FYNRIPK2
SCHEMBL24681217 1.00 MAPK1 (0.56) MAPK1TGFBR1ACVR1FYNRIPK2
SCHEMBL29914421 1.00 MAPK1 (0.56) MAPK1TGFBR1ACVR1FYNRIPK2
SCHEMBL24681096 1.00 MAPK1 (0.56) MAPK1TGFBR1ACVR1FYNRIPK2
SCHEMBL24681606 0.89 MAPK1 (0.57) MAPK1TGFBR1ACVR1FYNRIPK2
SCHEMBL24681215 0.89 MAPK1 (0.57) MAPK1TGFBR1ACVR1FYNRIPK2
SCHEMBL29914550 0.89 MAPK1 (0.57) MAPK1TGFBR1ACVR1FYNRIPK2
SCHEMBL24681095 0.89 MAPK1 (0.54) MAPK1TGFBR1ACVR1FYNRIPK2
SCHEMBL24681218 0.89 MAPK1 (0.54) MAPK1TGFBR1ACVR1FYNRIPK2
SCHEMBL24680718 0.89 MAPK1 (0.54) MAPK1TGFBR1ACVR1FYNRIPK2

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