SCHEMBL19657680

SCHEMBL19657680

C=C(NC)c1cn(C)c2ccc(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)cc12

nearest known ligand 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 20/20 0.83
BRD4 O60885 4/20 0.65
EP300 Q09472 2/20 0.65

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
SCHEMBL29704383 0.91 CREBBP (1.00) CREBBPBRD4EP300
SCHEMBL19644307 0.91 CREBBP (1.00) CREBBPBRD4EP300
SCHEMBL19644119 0.88 CREBBP (0.84) CREBBPBRD4EP300
SCHEMBL29704392 0.88 CREBBP (0.84) CREBBPBRD4EP300
SCHEMBL19657360 0.87 CREBBP (0.83) CREBBPBRD4EP300
SCHEMBL19657774 0.86 CREBBP (0.86) CREBBPBRD4EP300
SCHEMBL19657595 0.86 CREBBP (0.83) CREBBPBRD4EP300
SCHEMBL19657827 0.86 CREBBP (0.83) CREBBPBRD4EP300
SCHEMBL19644425 0.86 CREBBP (0.75) CREBBPBRD4EP300
SCHEMBL19657681 0.85 CREBBP (0.72) CREBBPBRD4EP300

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-2017205536-A2 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 WO disclosed