SCHEMBL22900759

SCHEMBL22900759

Cn1nc(C2CC2)c2c1C(=O)N(c1ccc3[nH]cnc3c1)C2c1ccc(I)cc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 5/20 0.47
▸ BRD2 P25440 5/20 0.47
▸ BRD3 Q15059 5/20 0.47
▸ CREBBP Q92793 4/20 0.47
▸ QPCT Q16769 15/20 0.37
▸ QPCTL Q9NXS2 1/20 0.35

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
SCHEMBL22900587 0.87 BRD4 (0.48) BRD4BRD2BRD3CREBBPQPCT
SCHEMBL22900340 0.84 QPCT (0.49) BRD4BRD2BRD3CREBBPQPCT
SCHEMBL22900581 0.80 BRD4 (0.48) BRD4BRD2BRD3CREBBPQPCT
SCHEMBL22900686 0.79 QPCT (0.32) QPCT
SCHEMBL22900687 0.77 BRD4 (0.41) BRD4BRD2BRD3CREBBP
SCHEMBL22900197 0.74 QPCT (0.56) BRD4BRD2BRD3CREBBPQPCT
SCHEMBL22900603 0.74 QPCT (0.56) BRD4BRD2BRD3CREBBPQPCT
SCHEMBL22900605 0.74 QPCT (0.56) BRD4BRD2BRD3CREBBPQPCT
SCHEMBL22900757 0.73 QPCT (0.39) QPCTQPCTL
SCHEMBL22900543 0.72 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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