SCHEMBL22900514

SCHEMBL22900514

Cc1nn(C)c2c1C(c1ccc(Br)cc1F)N(c1ccc3c(c1)ncn3C)C2=O

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BRD3 Q15059 19/20 0.43
▸ BRD2 P25440 18/20 0.43
▸ BRD4 O60885 18/20 0.43
▸ CREBBP Q92793 17/20 0.43
▸ QPCT Q16769 1/20 0.39

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
SCHEMBL22900456 0.84 QPCT (0.51) BRD3BRD2BRD4CREBBPQPCT
SCHEMBL22900458 0.83 BRD2 (0.38) BRD3BRD2BRD4CREBBPQPCT
SCHEMBL22900515 0.83 BRD3 (0.39) BRD3BRD2BRD4CREBBP
SCHEMBL22900724 0.81 BRD2 (0.39) BRD3BRD2BRD4CREBBPQPCT
SCHEMBL22900422 0.72 QPCT (0.37) QPCT
SCHEMBL22900354 0.72 BRD4 (0.38) BRD3BRD2BRD4CREBBPQPCT
SCHEMBL22900256 0.71 QPCT (0.54) BRD3BRD2BRD4CREBBPQPCT
SCHEMBL22900503 0.71 BRD4 (0.42) BRD3BRD2BRD4CREBBP
SCHEMBL22900540 0.67 BRD4 (0.42) BRD3BRD2BRD4CREBBPQPCT
SCHEMBL22900181 0.67 QPCT (0.52) BRD3BRD2BRD4CREBBPQPCT

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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