SCHEMBL19657625

SCHEMBL19657625

CNC(O)N1CCOc2ccc(-c3c(C)ccc(-c4cnn(C)c4)c3C(F)F)cc2C1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 15/20 0.73
BRD4 O60885 1/20 0.42
PIK3CA P42336 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
PFKFB3 Q16875 2/20 0.35
MAPK1 P28482 1/20 0.33

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
SCHEMBL30117226 0.85 CREBBP (1.00) CREBBPBRD4
SCHEMBL19643782 0.85 CREBBP (1.00) CREBBPBRD4
SCHEMBL19644201 0.79 CREBBP (0.76) CREBBPBRD4PIK3CA
SCHEMBL21023848 0.78 CREBBP (0.69) CREBBPPIK3CA
SCHEMBL19644030 0.78 CREBBP (0.63) CREBBPBRD4PIK3CAPFKFB3
SCHEMBL22166179 0.74 CREBBP (0.69) CREBBPPIK3CA
SCHEMBL19657623 0.72 CREBBP (1.00) CREBBPBRD4
SCHEMBL24258486 0.72 CREBBP (0.61) CREBBPBRD4
SCHEMBL19657724 0.68 CREBBP (0.50) CREBBPBRD4
SCHEMBL19657733 0.68 CREBBP (0.50) CREBBP

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