SCHEMBL31489787

SCHEMBL31489787

COC(=O)C(c1ccc(F)cc1)n1cc(-c2cncc(-c3ccn4nc(-n5c(C)ccc5C)nc4c3)n2)cn1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.34
RIPK1 Q13546 5/20 0.32
TDP2 O95551 1/20 0.32
MDM2 Q00987 1/20 0.30
CHEK1 O14757 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MAPK1 P28482 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CG P48736 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
SCHEMBL31489798 1.00 ROCK2 (0.34) ROCK2RIPK1TDP2MDM2CHEK1
SCHEMBL31489154 0.87 KDM4E (0.31) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL31489395 0.84 NTRK1 (0.31) RIPK1
SCHEMBL31489609 0.83 CYP11B2 (0.31)
SCHEMBL31489829 0.83 CYP11B2 (0.31)
SCHEMBL31489578 0.83 ROCK2 (0.31) ROCK2
SCHEMBL31489338 0.83
SCHEMBL31489710 0.83 CCNT1 (0.31) ROCK2
SCHEMBL31489528 0.83 CCNT1 (0.31) ROCK2
SCHEMBL31489923 0.83 ROCK2 (0.30) ROCK2

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