SCHEMBL29914434

SCHEMBL29914434

C[C@H]1COCCN1c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.57
MTOR P42345 3/20 0.45
FYN P06241 2/20 0.43
AKT1 P31749 1/20 0.42
MAPKAPK2 P49137 6/20 0.42
TGFBR1 P36897 1/20 0.42
ACVR1 Q04771 1/20 0.42
PIK3C3 Q8NEB9 2/20 0.41
PARP10 Q53GL7 1/20 0.40
PARP11 Q9NR21 1/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
LRRK2 Q5S007 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
SCHEMBL29914407 1.00 MAPK1 (0.57) MAPK1MTORFYNAKT1MAPKAPK2
SCHEMBL24680707 1.00 MAPK1 (0.57) MAPK1MTORFYNAKT1MAPKAPK2
SCHEMBL24681624 1.00 MAPK1 (0.57) MAPK1MTORFYNAKT1MAPKAPK2
SCHEMBL24680882 1.00 MAPK1 (0.57) MAPK1MTORFYNAKT1MAPKAPK2
SCHEMBL29914389 0.91 MTOR (0.52) MAPK1MTORFYNAKT1MAPKAPK2
SCHEMBL24680702 0.91 MTOR (0.52) MAPK1MTORFYNAKT1MAPKAPK2
SCHEMBL24681470 0.91 MAPK1 (0.53) MAPK1MTORAKT1MAPKAPK2PIK3C3
SCHEMBL24680816 0.91 MAPK1 (0.53) MAPK1MTORAKT1MAPKAPK2PIK3C3
SCHEMBL24680817 0.91 MAPK1 (0.53) MAPK1MTORAKT1MAPKAPK2PIK3C3
SCHEMBL29914461 0.91 MAPK1 (0.53) MAPK1MTORAKT1MAPKAPK2PIK3C3

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