SCHEMBL21638707

SCHEMBL21638707

CC(C)CC(=O)N1c2ccc(-c3cnn(CC(=O)N4CCC4)c3)cc2N(C(=O)O)C[C@@H]1C

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 9/20 0.46
▸ CCNC P24863 4/20 0.39
▸ CDK8 P49336 4/20 0.39
▸ PAICS P22234 1/20 0.37
▸ EP300 Q09472 2/20 0.36
▸ KHK P50053 3/20 0.36
▸ NAMPT P43490 1/20 0.34

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
SCHEMBL16722296 0.90 BRD4 (0.53) BRD4CCNCCDK8PAICSKHK
SCHEMBL16721827 0.89 BRD4 (0.45) BRD4CCNCCDK8PAICSEP300
SCHEMBL21638695 0.88 BRD4 (0.47) BRD4CCNCCDK8EP300NAMPT
SCHEMBL21638678 0.87 BRD4 (0.48) BRD4NAMPT
SCHEMBL16721804 0.87 BRD4 (0.52) BRD4CCNCCDK8PAICSKHK
SCHEMBL21638519 0.86 BRD4 (0.46) BRD4PAICSKHKNAMPT
SCHEMBL21638456 0.86 BRD4 (0.49) BRD4NAMPT
SCHEMBL16721936 0.85 BRD4 (0.51) BRD4CCNCCDK8PAICSKHK
SCHEMBL21638680 0.85 BRD4 (0.48) BRD4NAMPT
SCHEMBL21638444 0.84 BRD4 (0.47) BRD4CCNCCDK8

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
EP-3071205-B1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS FORMA THERAPEUTICS INC (US) 2020-02-05 — — EP disclosed
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