SCHEMBL31489393

SCHEMBL31489393

Cc1nn([C@H](c2ccc(F)cc2)C(C)(F)F)cc1-c1ccnc(Cl)n1

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA3 P34903 1/20 0.32
AAK1 Q2M2I8 3/20 0.32
GRM5 P41594 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MAP4K4 O95819 1/20 0.31
EGFR P00533 1/20 0.31
FRK P42685 1/20 0.31
MAPK9 P45984 1/20 0.31
CSNK1A1 P48729 1/20 0.31
BRAF P15056 1/20 0.30

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
SCHEMBL31489387 1.00 POLB (0.32) POLBMAPTGABRA1GABRG2GABRB3
SCHEMBL31489758 0.81 CYP11B1 (0.34) POLBMAPTNPC1RAB9A
SCHEMBL31489637 0.79 MKNK1 (0.39) MAPTGABRA1GABRG2GABRB3GABRA3
SCHEMBL31489412 0.78
SCHEMBL31489629 0.78
SCHEMBL31489738 0.77 PIK3CG (0.36) AAK1CSNK1A1
SCHEMBL31489339 0.77 PIK3CG (0.36) AAK1CSNK1A1
SCHEMBL31489944 0.73 NPC1 (0.32) NPC1RAB9A
SCHEMBL31489284 0.73 NPC1 (0.32) NPC1RAB9A
SCHEMBL31489570 0.70 MKNK1 (0.40) MAPTGABRA1GABRG2GABRB3GABRA3

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-2025072395-A1 TRIAZOLOPYRIDINYL COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2025-04-03 WO disclosed