SCHEMBL21652825

SCHEMBL21652825

Cn1cc(-c2nc(N)ccc2Oc2ccc(F)cc2F)c2cc[nH]c2c1=O

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.67

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
SCHEMBL23436757 0.87 BRD4 (0.63) BRD4
SCHEMBL21652831 0.84 BRD4 (0.68) BRD4
SCHEMBL21652824 0.84 BRD4 (0.64) BRD4
SCHEMBL15069293 0.83 BRD4 (0.76) BRD4
SCHEMBL23436641 0.82 BRD4 (0.76) BRD4
SCHEMBL31073856 0.81 BRD4 (0.72) BRD4
SCHEMBL23436760 0.80 BRD4 (0.77) BRD4
SCHEMBL21652740 0.80 BRD4 (0.77) BRD4
SCHEMBL29745710 0.80 BRD4 (1.00) BRD4
SCHEMBL15069284 0.80 BRD4 (1.00) BRD4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021143922-A1 CRYSTAL FORM AND SALT FORM OF BROMINE DOMAIN PROTEIN INHIBITOR AND PREPARATION METHOD THEREFOR 正大天晴药业集团股份有限公司 2021-07-22 WO disclosed
EP-3828183-A1 SULFOXIMINE COMPOUND AS BROMODOMAIN PROTEIN INHIBITOR AND PHARMACEUTICAL COMPOSITION AND MEDICAL USE THEREOF Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2021-06-02 EP disclosed
WO-2020020288-A1 SULFOXIMINE COMPOUND AS BROMODOMAIN PROTEIN INHIBITOR AND PHARMACEUTICAL COMPOSITION AND MEDICAL USE THEREOF 正大天晴药业集团股份有限公司 2020-01-30 WO disclosed