SCHEMBL24680720

SCHEMBL24680720

CO[C@H]1CCN(c2ccc(-c3cnc(N)c(-c4ccc5c(c4)CCNC5=O)c3)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.54
ACVR1 Q04771 9/20 0.47
TGFBR1 P36897 8/20 0.47
FYN P06241 5/20 0.45
MAPKAPK2 P49137 3/20 0.45
RIPK2 O43353 3/20 0.42
NOD2 Q9HC29 3/20 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
SCHEMBL29914591 1.00 MAPK1 (0.54) MAPK1ACVR1TGFBR1FYNMAPKAPK2
SCHEMBL24680734 1.00 MAPK1 (0.54) MAPK1ACVR1TGFBR1FYNMAPKAPK2
SCHEMBL29914432 1.00 MAPK1 (0.54) MAPK1ACVR1TGFBR1FYNMAPKAPK2
SCHEMBL24680768 1.00 MAPK1 (0.54) MAPK1ACVR1TGFBR1FYNMAPKAPK2
SCHEMBL29914388 0.88 MAPK1 (0.57) MAPK1ACVR1TGFBR1FYNMAPKAPK2
SCHEMBL29914501 0.88 MAPK1 (0.57) MAPK1ACVR1TGFBR1FYNMAPKAPK2
SCHEMBL24681101 0.88 MAPK1 (0.57) MAPK1ACVR1TGFBR1FYNMAPKAPK2
SCHEMBL24680704 0.88 MAPK1 (0.57) MAPK1ACVR1TGFBR1FYNMAPKAPK2
SCHEMBL24680727 0.88 MAPK1 (0.57) MAPK1ACVR1TGFBR1FYNMAPKAPK2
SCHEMBL24681104 0.86 MAPK1 (0.54) MAPK1ACVR1TGFBR1FYNMAPKAPK2

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