SCHEMBL29914586

SCHEMBL29914586

CC(C)[C@H]1CN(c2ccc(-c3cnc(N)c(-c4ccc5c(c4)CNC5=O)c3)cc2)CCO1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 7/20 0.44
ACVR1 Q04771 6/20 0.44
FYN P06241 5/20 0.44
TBK1 Q9UHD2 1/20 0.44
MAPKAPK2 P49137 1/20 0.43
LRRK2 Q5S007 2/20 0.43
MAPK1 P28482 1/20 0.43
MAPKAPK5 Q8IW41 2/20 0.41
RIPK2 O43353 1/20 0.40
NOD2 Q9HC29 1/20 0.40

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
SCHEMBL29914587 1.00 TGFBR1 (0.44) TGFBR1ACVR1FYNTBK1MAPKAPK2
SCHEMBL24681091 1.00 TGFBR1 (0.44) TGFBR1ACVR1FYNTBK1MAPKAPK2
SCHEMBL24681098 1.00 TGFBR1 (0.44) TGFBR1ACVR1FYNTBK1MAPKAPK2
SCHEMBL24681220 1.00 TGFBR1 (0.44) TGFBR1ACVR1FYNTBK1MAPKAPK2
SCHEMBL29914488 0.92 MAPK1 (0.54) TGFBR1ACVR1FYNMAPKAPK2LRRK2
SCHEMBL29914585 0.92 MAPK1 (0.54) TGFBR1ACVR1FYNMAPKAPK2LRRK2
SCHEMBL24681095 0.92 MAPK1 (0.54) TGFBR1ACVR1FYNMAPKAPK2LRRK2
SCHEMBL24680718 0.92 MAPK1 (0.54) TGFBR1ACVR1FYNMAPKAPK2LRRK2
SCHEMBL24681218 0.92 MAPK1 (0.54) TGFBR1ACVR1FYNMAPKAPK2LRRK2
SCHEMBL24681511 0.86 TGFBR1 (0.47) TGFBR1ACVR1FYNLRRK2RIPK2

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