SCHEMBL31489256

SCHEMBL31489256

Cc1ccc(C)n1-c1nc2cc(-c3nccc(-c4cnn(C(CCF)c5ccc(F)cc5)c4)n3)ccn2n1

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MKNK1 Q9BUB5 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CG P48736 1/20 0.31
MAPK1 P28482 1/20 0.31
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 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
SCHEMBL31489375 0.91 MKNK1 (0.31) ROCK2MKNK1MAPK1
SCHEMBL31489315 0.90 ROCK2 (0.32) ROCK2PIK3CDPIK3CAPIK3CG
SCHEMBL31489578 0.88 ROCK2 (0.31) ROCK2
SCHEMBL31489134 0.86 MEN1 (0.34) ROCK2MEN1GAAMAPTKMT2A
SCHEMBL31489457 0.86 MAPK1 (0.32) ROCK2MKNK1PIK3CDPIK3CAPIK3CG
SCHEMBL31489860 0.86 PIK3CD (0.32) ROCK2MKNK1PIK3CDPIK3CAPIK3CG
SCHEMBL31489528 0.81 CCNT1 (0.31) ROCK2
SCHEMBL31489408 0.78 CCNT1 (0.31) ROCK2
SCHEMBL31489923 0.78 ROCK2 (0.30) ROCK2
SCHEMBL31489335 0.78 PIK3CG (0.36) MKNK1PIK3CDPIK3CAPIK3CG

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