SCHEMBL31489670

SCHEMBL31489670

CCC(c1ccc(F)cc1)n1cc(-c2nc(-c3ccn4nc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc4c3)c(F)cc2F)cn1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.32
CYP17A1 P05093 1/20 0.31
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30
MAPK1 P28482 1/20 0.30
RIPK1 Q13546 3/20 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
SCHEMBL31489151 1.00 ROCK2 (0.32) ROCK2CYP17A1JAK2JAK1TYK2
SCHEMBL31489755 0.89 ROCK2 (0.32) ROCK2RIPK1
SCHEMBL31489898 0.87 ROCK2 (0.32) ROCK2CYP17A1MAPK1
SCHEMBL31489225 0.82 ROCK2 (0.31) ROCK2
SCHEMBL31489695 0.82 TDP2 (0.31) ROCK2RIPK1
SCHEMBL31489668 0.82 TDP2 (0.31) ROCK2RIPK1
SCHEMBL31489322 0.81 ROCK2 (0.32) ROCK2RIPK1
SCHEMBL31489564 0.81 RIPK1 (0.33) ROCK2RIPK1
SCHEMBL31489876 0.80 PIK3CG (0.39) ROCK2CYP17A1JAK2JAK1TYK2
SCHEMBL31489304 0.80 PIK3CG (0.39) ROCK2CYP17A1JAK2JAK1TYK2

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