SCHEMBL22900766

SCHEMBL22900766

CCCOc1ccc(C2c3c(nn(C)c3C)C(=O)N2c2ccc3nnn(C)c3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 5/20 0.46
▸ QPCTL Q9NXS2 2/20 0.46
▸ BRD4 O60885 15/20 0.46
▸ BRD2 P25440 13/20 0.46
▸ BRD3 Q15059 13/20 0.46
▸ CREBBP Q92793 5/20 0.44

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
SCHEMBL22900579 0.88 BRD4 (0.53) BRD4BRD2BRD3CREBBP
SCHEMBL22900698 0.83 BRD4 (0.49) QPCTQPCTLBRD4BRD2BRD3
SCHEMBL22900196 0.82 QPCT (0.58) QPCTQPCTLBRD4BRD2BRD3
SCHEMBL22900602 0.82 QPCT (0.58) QPCTQPCTLBRD4BRD2BRD3
SCHEMBL22900604 0.82 QPCT (0.58) QPCTQPCTLBRD4BRD2BRD3
SCHEMBL22900253 0.79 QPCT (0.58) QPCTQPCTLBRD4BRD2BRD3
SCHEMBL22900584 0.79 BRD4 (0.73) QPCTQPCTLBRD4BRD2BRD3
SCHEMBL22900582 0.78 BRD4 (0.63) BRD4BRD2BRD3CREBBP
SCHEMBL22900583 0.75 BRD2 (0.47) BRD4BRD2BRD3CREBBP
SCHEMBL22900580 0.74 BRD4 (0.49) QPCTQPCTLBRD4BRD2BRD3

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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