SCHEMBL29704378

SCHEMBL29704378

Cn1cc(-c2cc3c(cc2C(F)F)N(c2cnc4[nH]cc(Br)c4n2)CCC3)cn1

nearest known ligand 0.86

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 20/20 0.86
BRD4 O60885 2/20 0.57
EP300 Q09472 2/20 0.57
TRIM24 O15164 1/20 0.55
BRD3 Q15059 1/20 0.55
BRD9 Q9H8M2 1/20 0.55
BRD7 Q9NPI1 1/20 0.55

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
SCHEMBL19657721 1.00 CREBBP (0.86) CREBBPBRD4EP300TRIM24BRD3
SCHEMBL19657658 0.92 CREBBP (1.00) CREBBPBRD4EP300TRIM24BRD3
SCHEMBL29704457 0.92 CREBBP (1.00) CREBBPBRD4EP300TRIM24BRD3
SCHEMBL19657682 0.86 CREBBP (1.00) CREBBPBRD4EP300TRIM24BRD3
SCHEMBL19657734 0.84 CREBBP (0.78) CREBBPBRD4EP300TRIM24BRD3
SCHEMBL19657612 0.83 CREBBP (0.74) CREBBPBRD4EP300
SCHEMBL29704498 0.83 CREBBP (0.74) CREBBPBRD4EP300
SCHEMBL19657688 0.76 CREBBP (0.76) CREBBPBRD4EP300TRIM24BRD3
SCHEMBL19657737 0.76 CREBBP (1.00) CREBBPBRD4EP300
SCHEMBL19657414 0.76 CREBBP (1.00) CREBBPBRD4EP300TRIM24BRD3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115028617-A Heterocyclic inhibitors of CBP/EP300 and their use in the treatment of cancer 基因泰克公司 2022-09-09 CN disclosed
CN-109476641-B Heterocyclic inhibitors of CBP/EP300 and their use in the treatment of cancer 基因泰克公司 2022-07-05 CN disclosed