SCHEMBL29914547

SCHEMBL29914547

CN1CCCN(c2ccc(-c3cnc(N)c(-c4ccc5c(c4)CCNC5=O)c3)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FYN P06241 5/20 0.58
MAPK1 P28482 1/20 0.53
TGFBR1 P36897 9/20 0.48
ACVR1 Q04771 8/20 0.48
RIPK2 O43353 1/20 0.46
NOD2 Q9HC29 1/20 0.46
MAPKAPK2 P49137 4/20 0.44

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
SCHEMBL24681149 1.00 FYN (0.58) FYNMAPK1TGFBR1ACVR1RIPK2
SCHEMBL24680896 0.97 FYN (0.61) FYNMAPK1TGFBR1ACVR1RIPK2
SCHEMBL29914578 0.92 MAPK1 (0.58) FYNMAPK1TGFBR1ACVR1RIPK2
SCHEMBL24680770 0.92 MAPK1 (0.58) FYNMAPK1TGFBR1ACVR1RIPK2
SCHEMBL29914509 0.91 MAPK1 (0.57) FYNMAPK1TGFBR1ACVR1RIPK2
SCHEMBL24681555 0.91 MAPK1 (0.57) FYNMAPK1TGFBR1ACVR1RIPK2
SCHEMBL29914453 0.89 MAPK1 (0.51) FYNMAPK1TGFBR1ACVR1RIPK2
SCHEMBL24681094 0.89 MAPK1 (0.51) FYNMAPK1TGFBR1ACVR1RIPK2
SCHEMBL24681372 0.88 ACVR1 (0.59) FYNMAPK1TGFBR1ACVR1RIPK2
SCHEMBL24680924 0.88 MAPKAPK2 (0.56) FYNMAPK1TGFBR1ACVR1MAPKAPK2

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