SCHEMBL22516628

SCHEMBL22516628

CCSNc1cc(-c2cn(C)c(=O)c3[nH]ccc23)cc2c1nc(C)n2Cc1ccc(F)cc1F

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 20/20 0.60
▸ BRD2 P25440 1/20 0.40
▸ ADORA2B P29275 1/20 0.40
▸ TSPO P30536 1/20 0.40
▸ EP300 Q09472 1/20 0.40
▸ BRD3 Q15059 1/20 0.40
▸ BRDT Q58F21 1/20 0.40

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
SCHEMBL22516600 0.93 BRD4 (0.64) BRD4
SCHEMBL22516420 0.93 BRD4 (0.59) BRD4
SCHEMBL22492875 0.88 BRD4 (0.77) BRD4BRD2ADORA2BTSPOEP300
SCHEMBL29977099 0.88 BRD4 (0.77) BRD4BRD2ADORA2BTSPOEP300
SCHEMBL22516425 0.87 BRD4 (0.79) BRD4BRD2ADORA2BTSPOEP300
SCHEMBL22516500 0.85 BRD4 (0.78) BRD4
SCHEMBL22516647 0.84 BRD4 (0.60) BRD4
SCHEMBL22516415 0.84 BRD4 (0.58) BRD4
SCHEMBL22516505 0.84 BRD4 (0.68) BRD4
SCHEMBL22516572 0.84 BRD4 (0.66) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3719017-A2 COMPOUND FUNCTIONING AS BROMODOMAIN PROTEIN INHIBITOR, AND COMPOSITION Betta Pharmaceuticals Co., Ltd. (CN) 2020-10-07 — — EP disclosed
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