SCHEMBL31489752

SCHEMBL31489752

C[C@H](c1ccncc1)n1cc(I)cn1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 9/20 0.52
HDAC8 Q9BY41 1/20 0.35
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.32
RECQL P46063 1/20 0.32
GAA P10253 1/20 0.32
BRD4 O60885 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
NFATC1 O95644 1/20 0.30
GSK3B P49841 1/20 0.30
DYRK1A Q13627 1/20 0.30
ALDH1A1 P00352 2/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL31489479 1.00 CREBBP (0.52) CREBBPHDAC8CYP3A4CYP2C19LMNA
SCHEMBL31489905 0.84 CREBBP (0.51) CREBBPLMNABRD4ALDH1A1NPSR1
SCHEMBL31489764 0.84 CREBBP (0.51) CREBBPLMNABRD4ALDH1A1NPSR1
SCHEMBL23022268 0.83 CREBBP (0.56) CREBBPLMNAGAASLC6A2SLC6A4
SCHEMBL31489224 0.81 CREBBP (0.39) CREBBPDYRK1A
SCHEMBL31489591 0.81 CREBBP (0.39) CREBBPDYRK1A
SCHEMBL31489672 0.81 PDE2A (0.37) CREBBP
SCHEMBL31489456 0.81 PDE2A (0.37) CREBBP
SCHEMBL15564195 0.79 CREBBP (0.52) CREBBPCYP3A4CYP2C19LMNARECQL
SCHEMBL31489420 0.78 CREBBP (0.56) CREBBPCYP3A4CYP2C19

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