SCHEMBL22900399

SCHEMBL22900399

Cc1nc2c(s1)C(c1ccc(Cl)cc1F)N(c1ccc3[nH]cnc3c1)C2=O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 9/20 0.41
▸ BRD3 Q15059 9/20 0.41
▸ BRD2 P25440 8/20 0.41
▸ CREBBP Q92793 8/20 0.41
▸ QPCT Q16769 9/20 0.40
▸ MDM2 Q00987 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MDM4 O15151 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
SCHEMBL22900460 0.87 QPCT (0.40) BRD4BRD3BRD2CREBBPQPCT
SCHEMBL22900454 0.85 QPCT (0.41) BRD4BRD3BRD2CREBBPQPCT
SCHEMBL22900221 0.83 QPCT (0.53) QPCT
SCHEMBL22900430 0.78 QPCT (0.41) BRD4BRD3BRD2CREBBPQPCT
SCHEMBL22900328 0.77 BRD2 (0.44) BRD4BRD3BRD2CREBBPQPCT
SCHEMBL22900398 0.77 BRD4 (0.36) BRD4BRD3BRD2CREBBPMDM2
SCHEMBL22900325 0.76 QPCT (0.40) BRD4BRD3BRD2CREBBPQPCT
SCHEMBL22900459 0.73 QPCT (0.40) BRD4BRD3BRD2CREBBPQPCT
SCHEMBL3814664 0.71 QPCT (0.42) QPCTMDM2TP53
SCHEMBL22900181 0.71 QPCT (0.52) BRD4BRD3BRD2CREBBPQPCT

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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