SCHEMBL22900428

SCHEMBL22900428

Cc1c2c(nn1C)C(=O)N(c1ccn3ccnc3c1)C2c1ccc(N2CCC(F)(F)C2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 2/20 0.40
▸ BRD4 O60885 17/20 0.38
▸ BRD2 P25440 16/20 0.38
▸ BRD3 Q15059 16/20 0.38
▸ CREBBP Q92793 9/20 0.38
▸ MDM4 O15151 1/20 0.33
▸ MDM2 Q00987 1/20 0.33

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
SCHEMBL22900351 0.87 BRD4 (0.45) QPCTBRD4BRD2BRD3CREBBP
SCHEMBL22900502 0.86 BRD4 (0.38) QPCTBRD4BRD2BRD3CREBBP
SCHEMBL22900277 0.83 BRD4 (0.37) BRD4BRD2BRD3CREBBP
SCHEMBL22900331 0.83 BRD4 (0.37) BRD4BRD2BRD3CREBBP
SCHEMBL22900540 0.83 BRD4 (0.42) QPCTBRD4BRD2BRD3CREBBP
SCHEMBL22900349 0.82 QPCT (0.33) QPCT
SCHEMBL22900208 0.81 QPCT (0.54) QPCTBRD4BRD2BRD3CREBBP
SCHEMBL22900238 0.77 QPCT (0.49) QPCTBRD4BRD2BRD3CREBBP
SCHEMBL22900247 0.77 QPCT (0.48) QPCTBRD4BRD2BRD3CREBBP
SCHEMBL22900352 0.76 BRD4 (0.39) QPCTBRD4BRD2BRD3CREBBP

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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