SCHEMBL17846750

SCHEMBL17846750

CC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(S(C)(=O)=O)c4)cc3)nn2[C@H]2CCOC2)C1

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 20/20 0.81
▸ CREBBP Q92793 20/20 0.81
▸ EP300 Q09472 5/20 0.81
▸ TAF1 P21675 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
SCHEMBL17846751 1.00 BRD4 (0.81) BRD4CREBBPEP300TAF1
SCHEMBL17785802 0.90 BRD4 (1.00) BRD4CREBBPEP300TAF1
SCHEMBL17785803 0.90 BRD4 (1.00) BRD4CREBBPEP300TAF1
SCHEMBL17795442 0.90 BRD4 (1.00) BRD4CREBBPEP300TAF1
SCHEMBL17795118 0.81 CREBBP (1.00) BRD4CREBBPEP300TAF1
SCHEMBL17794818 0.80 CREBBP (1.00) BRD4CREBBPEP300
SCHEMBL17795190 0.80 CREBBP (1.00) BRD4CREBBPEP300TAF1
SCHEMBL17799427 0.80 CREBBP (1.00) BRD4CREBBPEP300TAF1
SCHEMBL17794719 0.79 BRD4 (1.00) BRD4CREBBPEP300
SCHEMBL17795090 0.79 BRD4 (1.00) BRD4CREBBPEP300TAF1

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-2016086200-A9 4,5,6,7-TETRAHYDRO-1 H-PYRAZOLO[4,3-C]PYRIDIN-3-AMINE COMPOUNDS AS CBP AND/OR EP300 INHIBITORS GENENTECH, INC. (US) 2016-06-23 — — WO disclosed
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