SCHEMBL22900540

SCHEMBL22900540

Cc1c2c(nn1C)C(=O)N(c1ccn3ccnc3c1)C2c1ccc(Br)cc1F

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 19/20 0.42
▸ BRD2 P25440 18/20 0.42
▸ BRD3 Q15059 18/20 0.42
▸ CREBBP Q92793 10/20 0.42
▸ QPCT Q16769 1/20 0.36

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
SCHEMBL22900428 0.83 QPCT (0.40) BRD4BRD2BRD3CREBBPQPCT
SCHEMBL22900538 0.83 BRD4 (0.42) BRD4BRD2BRD3CREBBPQPCT
SCHEMBL22900352 0.82 BRD4 (0.39) BRD4BRD2BRD3CREBBPQPCT
SCHEMBL22900331 0.82 BRD4 (0.37) BRD4BRD2BRD3CREBBP
SCHEMBL22900277 0.82 BRD4 (0.37) BRD4BRD2BRD3CREBBP
SCHEMBL22900256 0.78 QPCT (0.54) BRD4BRD2BRD3CREBBPQPCT
SCHEMBL22900253 0.74 QPCT (0.58) BRD4BRD2BRD3CREBBPQPCT
SCHEMBL22900354 0.71 BRD4 (0.38) BRD4BRD2BRD3CREBBPQPCT
SCHEMBL22900401 0.68 BRD4 (0.44) BRD4BRD2BRD3CREBBPQPCT
SCHEMBL22900276 0.66 NMT1 (0.41) BRD4BRD2BRD3QPCT

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
WO-2021009068-A1 N-SUBSTITUTED-3,4-(FUSED 5-RING)-5-PHENYL-PYRROLIDINE-2-ONE COMPOUNDS AS INHIBITORS OF ISOQC AND/OR QC ENZYME SCENIC IMMUNOLOGY B.V. (NL) 2021-01-21 — — WO disclosed
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