SCHEMBL22900587

SCHEMBL22900587

Cc1nn(C)c2c1C(c1ccc(I)cc1)N(c1ccc3[nH]cnc3c1)C2=O

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 14/20 0.48
▸ BRD3 Q15059 14/20 0.48
▸ BRD2 P25440 13/20 0.48
▸ CREBBP Q92793 11/20 0.48
▸ QPCT Q16769 6/20 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
SCHEMBL22900581 0.92 BRD4 (0.48) BRD4BRD3BRD2CREBBPQPCT
SCHEMBL22900759 0.87 BRD4 (0.47) BRD4BRD3BRD2CREBBPQPCT
SCHEMBL22900603 0.86 QPCT (0.56) BRD4BRD3BRD2CREBBPQPCT
SCHEMBL22900605 0.86 QPCT (0.56) BRD4BRD3BRD2CREBBPQPCT
SCHEMBL22900197 0.86 QPCT (0.56) BRD4BRD3BRD2CREBBPQPCT
SCHEMBL22900282 0.83 BRD4 (0.43) BRD4BRD3BRD2CREBBPQPCT
SCHEMBL22900289 0.81 BRD4 (0.42) BRD4BRD3BRD2CREBBPQPCT
SCHEMBL22900456 0.79 QPCT (0.51) BRD4BRD3BRD2CREBBPQPCT
SCHEMBL22900544 0.77 QPCT (0.33) QPCT
SCHEMBL22900543 0.75 CCR1 (0.52) —

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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