SCHEMBL22900583

SCHEMBL22900583

CCCOc1ccc(C2c3c(nn(C)c3C)C(=O)N2c2cc(C)c3nnc(C)n3n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BRD2 P25440 17/20 0.47
▸ BRD4 O60885 17/20 0.47
▸ BRD3 Q15059 16/20 0.47
▸ CREBBP Q92793 10/20 0.47

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
SCHEMBL22900697 0.91 BRD4 (0.50) BRD2BRD4BRD3CREBBP
SCHEMBL22900582 0.84 BRD4 (0.63) BRD2BRD4BRD3CREBBP
SCHEMBL22900698 0.80 BRD4 (0.49) BRD2BRD4BRD3CREBBP
SCHEMBL22900584 0.77 BRD4 (0.73) BRD2BRD4BRD3CREBBP
SCHEMBL22900580 0.77 BRD4 (0.49) BRD2BRD4BRD3CREBBP
SCHEMBL22900579 0.77 BRD4 (0.53) BRD2BRD4BRD3CREBBP
SCHEMBL22900766 0.75 QPCT (0.46) BRD2BRD4BRD3CREBBP
SCHEMBL22900253 0.75 QPCT (0.58) BRD2BRD4BRD3CREBBP
SCHEMBL22900604 0.73 QPCT (0.58) BRD2BRD4BRD3CREBBP
SCHEMBL22900602 0.73 QPCT (0.58) BRD2BRD4BRD3CREBBP

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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