SCHEMBL31489672

SCHEMBL31489672

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

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 10/20 0.37
CREBBP Q92793 5/20 0.36
TEAD1 P28347 2/20 0.35
PDE9A O76083 1/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
HSD11B1 P28845 1/20 0.34

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
SCHEMBL31489456 1.00 PDE2A (0.37) PDE2ACREBBPTEAD1PDE9ACES2
SCHEMBL31489591 0.83 CREBBP (0.39) CREBBP
SCHEMBL31489224 0.83 CREBBP (0.39) CREBBP
SCHEMBL31489752 0.81 CREBBP (0.52) CREBBP
SCHEMBL31489479 0.81 CREBBP (0.52) CREBBP
SCHEMBL23212733 0.79 CYP2B6 (0.48) PDE2ACES2
SCHEMBL29871073 0.79 CYP2B6 (0.48) PDE2ACES2
SCHEMBL31489764 0.79 CREBBP (0.51) CREBBP
SCHEMBL31489905 0.79 CREBBP (0.51) CREBBP
SCHEMBL24208620 0.77 ACHE (0.47) CREBBPTEAD1CES2CES1

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