SCHEMBL19657696

SCHEMBL19657696

C=C(NC)c1c[nH]c2c(C(C)C)cc(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)cc12

nearest known ligand 0.84

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 20/20 0.84
▸ BRD4 O60885 3/20 0.64
▸ EP300 Q09472 3/20 0.64
▸ TRIM24 O15164 1/20 0.64
▸ BRD3 Q15059 1/20 0.64
▸ BRD9 Q9H8M2 1/20 0.64
▸ BRD7 Q9NPI1 1/20 0.64

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
SCHEMBL19657773 0.92 CREBBP (0.73) CREBBPBRD4EP300TRIM24BRD3
SCHEMBL29704371 0.91 CREBBP (1.00) CREBBPBRD4EP300TRIM24BRD3
SCHEMBL19643793 0.91 CREBBP (1.00) CREBBPBRD4EP300TRIM24BRD3
SCHEMBL19657595 0.87 CREBBP (0.83) CREBBPBRD4EP300
SCHEMBL19657827 0.87 CREBBP (0.83) CREBBPBRD4EP300
SCHEMBL19657730 0.85 CREBBP (0.84) CREBBPBRD4EP300TRIM24BRD3
SCHEMBL19657891 0.84 CREBBP (0.70) CREBBPBRD4EP300
SCHEMBL19657771 0.84 CREBBP (0.86) CREBBPBRD4EP300TRIM24BRD3
SCHEMBL19657360 0.81 CREBBP (0.83) CREBBPBRD4EP300
SCHEMBL19657774 0.81 CREBBP (0.86) 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
Send feedback