SCHEMBL20357622

SCHEMBL20357622

Cc1noc(C)c1-c1c(OC2CCNCC2)ccc2ccc(=O)n(Cc3ccccn3)c12

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 18/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ BRD2 P25440 1/20 0.45
▸ BRD3 Q15059 1/20 0.45

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
SCHEMBL20357623 0.90 BRD4 (0.48) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL20357669 0.89 BRD4 (0.42) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL20357589 0.85 BRD4 (0.46) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL20357601 0.85 BRD4 (0.54) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL16905837 0.85 BRD4 (0.49) BRD4CYP3A4CYP2C9BRD2BRD3
Hydrochloric Acid SCHEMBL16896908 0.84 BRD4 (0.49) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL20357599 0.83 BRD4 (0.49) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL20357573 0.83 BRD4 (0.47) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL20357582 0.83 BRD4 (0.47) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL20357665 0.82 BRD4 (0.48) BRD4CYP3A4CYP2C9BRD2BRD3

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-3092227-B1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORP (FI) 2018-07-11 — — EP claimed
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