SCHEMBL29914506

SCHEMBL29914506

CC(C)[C@H]1CN(c2ccc(-c3cnc(N)c(-c4ccc5c(c4)CCNC5=O)c3)cc2)CCN1C

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.51
▸ FYN P06241 5/20 0.46
▸ ACVR1 Q04771 9/20 0.45
▸ TGFBR1 P36897 8/20 0.45
▸ MAPKAPK2 P49137 2/20 0.42
▸ RIPK2 O43353 4/20 0.41
▸ NOD2 Q9HC29 4/20 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
SCHEMBL24680717 1.00 MAPK1 (0.51) MAPK1FYNACVR1TGFBR1MAPKAPK2
SCHEMBL24681141 1.00 MAPK1 (0.51) MAPK1FYNACVR1TGFBR1MAPKAPK2
SCHEMBL29914502 0.91 MAPK1 (0.46) MAPK1FYNACVR1TGFBR1MAPKAPK2
SCHEMBL29914431 0.91 MAPK1 (0.46) MAPK1FYNACVR1TGFBR1MAPKAPK2
SCHEMBL24680736 0.91 MAPK1 (0.46) MAPK1FYNACVR1TGFBR1MAPKAPK2
SCHEMBL24680864 0.91 MAPK1 (0.46) MAPK1FYNACVR1TGFBR1MAPKAPK2
SCHEMBL24680865 0.91 MAPK1 (0.46) MAPK1FYNACVR1TGFBR1MAPKAPK2
SCHEMBL27158001 0.88 MAPK1 (0.45) MAPK1ACVR1TGFBR1MAPKAPK2
SCHEMBL27157533 0.88 MAPK1 (0.45) MAPK1ACVR1TGFBR1MAPKAPK2
SCHEMBL27157990 0.88 MAPK1 (0.45) MAPK1ACVR1TGFBR1MAPKAPK2

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
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