SCHEMBL31489420

SCHEMBL31489420

C[C@@H](c1ccc(C#N)cc1)n1cc(I)cn1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 4/20 0.56
CYP19A1 P11511 15/20 0.41
CYP11B2 P19099 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP11B1 P15538 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL31489591 0.80 CREBBP (0.39) CREBBP
SCHEMBL31489224 0.80 CREBBP (0.39) CREBBP
SCHEMBL31489764 0.79 CREBBP (0.51) CREBBP
SCHEMBL31489905 0.79 CREBBP (0.51) CREBBP
SCHEMBL31489752 0.78 CREBBP (0.52) CREBBPCYP3A4CYP2C19
SCHEMBL31489479 0.78 CREBBP (0.52) CREBBPCYP3A4CYP2C19
SCHEMBL31489456 0.76 PDE2A (0.37) CREBBP
SCHEMBL31489672 0.76 PDE2A (0.37) CREBBP
SCHEMBL20532107 0.72 CREBBP (1.00) CREBBP
SCHEMBL23022268 0.72 CREBBP (0.56) CREBBPCYP19A1

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