SCHEMBL29914563

SCHEMBL29914563

Nc1ncc(-c2ccc(N3CCN(C4COC4)CC3)cc2)cc1-c1ccc2c(c1)CCNC2=O

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.57
TGFBR1 P36897 10/20 0.48
ACVR1 Q04771 9/20 0.48
FYN P06241 6/20 0.45
RIPK2 O43353 1/20 0.42
NOD2 Q9HC29 1/20 0.42
MAPKAPK2 P49137 2/20 0.42

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
SCHEMBL24680883 1.00 MAPK1 (0.57) MAPK1TGFBR1ACVR1FYNRIPK2
SCHEMBL24681246 0.88 MAPK1 (0.63) MAPK1TGFBR1ACVR1FYNRIPK2
SCHEMBL29914578 0.87 MAPK1 (0.58) MAPK1TGFBR1ACVR1FYNRIPK2
SCHEMBL24680770 0.87 MAPK1 (0.58) MAPK1TGFBR1ACVR1FYNRIPK2
SCHEMBL29965178 0.86 MAPK1 (0.59) MAPK1TGFBR1ACVR1FYNMAPKAPK2
SCHEMBL24680712 0.86 MAPK1 (0.61) MAPK1TGFBR1ACVR1FYNRIPK2
SCHEMBL29914605 0.86 MAPK1 (0.61) MAPK1TGFBR1ACVR1FYNRIPK2
SCHEMBL29963716 0.86 MAPK1 (0.53) MAPK1TGFBR1ACVR1FYNRIPK2
SCHEMBL24680896 0.86 FYN (0.61) MAPK1TGFBR1ACVR1FYNRIPK2
SCHEMBL24681555 0.86 MAPK1 (0.57) 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