SCHEMBL24680801

SCHEMBL24680801

CN1C2CCC1CN(c1ccc(-c3cnc(N)c(-c4ccc5c(c4)CCNC5=O)c3)cc1)C2

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.56
FYN P06241 3/20 0.44
MAPKAPK2 P49137 7/20 0.43
TGFBR1 P36897 7/20 0.43
ACVR1 Q04771 6/20 0.43
PARP10 Q53GL7 1/20 0.42
PARP11 Q9NR21 1/20 0.42
RIPK2 O43353 1/20 0.41
NOD2 Q9HC29 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
SCHEMBL29914497 1.00 MAPK1 (0.56) MAPK1FYNMAPKAPK2TGFBR1ACVR1
SCHEMBL29914543 0.90 MAPK1 (0.55) MAPK1FYNMAPKAPK2TGFBR1ACVR1
SCHEMBL29914549 0.90 MAPK1 (0.55) MAPK1FYNMAPKAPK2TGFBR1ACVR1
SCHEMBL24680763 0.90 MAPK1 (0.55) MAPK1FYNMAPKAPK2TGFBR1ACVR1
SCHEMBL24680759 0.90 MAPK1 (0.55) MAPK1FYNMAPKAPK2TGFBR1ACVR1
SCHEMBL24680940 0.87 MAPK1 (0.54) MAPK1FYNMAPKAPK2TGFBR1ACVR1
SCHEMBL29914413 0.87 MAPK1 (0.54) MAPK1FYNMAPKAPK2TGFBR1ACVR1
SCHEMBL24681692 0.87 MAPK1 (0.55) MAPK1FYNMAPKAPK2TGFBR1ACVR1
SCHEMBL24680999 0.87 MAPK1 (0.55) MAPK1FYNMAPKAPK2TGFBR1ACVR1
SCHEMBL29914494 0.87 MAPK1 (0.55) MAPK1FYNMAPKAPK2TGFBR1ACVR1

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