SCHEMBL21795653

SCHEMBL21795653

Cc1noc(C)c1-c1cnc2cc(Cl)n(Cc3ccccc3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 19/20 0.53
EP300 Q09472 2/20 0.48
CREBBP Q92793 2/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
BRD2 P25440 1/20 0.47
BRD3 Q15059 1/20 0.47

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
SCHEMBL21801036 0.81 BRD4 (0.57) BRD4EP300CREBBPBRD2
SCHEMBL30335206 0.81 BRD4 (0.57) BRD4EP300CREBBPBRD2
SCHEMBL29920892 0.81 BRD4 (0.55) BRD4EP300CREBBP
SCHEMBL17798085 0.81 BRD4 (0.55) BRD4EP300CREBBP
SCHEMBL29920695 0.81 BRD4 (0.69) BRD4EP300CREBBP
SCHEMBL16060324 0.81 BRD4 (0.69) BRD4EP300CREBBP
SCHEMBL29920779 0.81 BRD4 (0.57) BRD4EP300CREBBP
SCHEMBL17798083 0.81 BRD4 (0.57) BRD4EP300CREBBP
SCHEMBL17797964 0.80 BRD4 (0.58) BRD4EP300CREBBPBRD2
SCHEMBL29920722 0.80 BRD4 (0.58) BRD4EP300CREBBPBRD2

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-3010503-B1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS ZENITH EPIGENETICS LTD (CA) 2020-03-11 EP disclosed