SCHEMBL29914458

SCHEMBL29914458

CN1CCN(c2ccc(-c3cnc(N)c(-c4ccc5c(c4)C(C)(C)NC5=O)c3)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FYN P06241 8/20 0.60
ACVR1 Q04771 10/20 0.48
TGFBR1 P36897 9/20 0.48
RIPK2 O43353 3/20 0.45
NOD2 Q9HC29 3/20 0.45

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
SCHEMBL24681090 1.00 FYN (0.60) FYNACVR1TGFBR1RIPK2NOD2
SCHEMBL24681243 0.88 FYN (0.60) FYNACVR1TGFBR1RIPK2NOD2
SCHEMBL29914380 0.86 FYN (0.67) FYNACVR1TGFBR1RIPK2NOD2
SCHEMBL24680827 0.86 FYN (0.67) FYNACVR1TGFBR1RIPK2NOD2
SCHEMBL27157869 0.85 CHEK1 (0.58) FYN
SCHEMBL24681241 0.83 FYN (0.63) FYNACVR1TGFBR1RIPK2NOD2
SCHEMBL29964806 0.83 FYN (0.41) FYN
SCHEMBL24681043 0.82 FYN (0.64) FYNACVR1TGFBR1RIPK2NOD2
SCHEMBL24680896 0.81 FYN (0.61) FYNACVR1TGFBR1RIPK2NOD2
SCHEMBL24681351 0.80 FYN (0.68) FYNACVR1TGFBR1

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