SCHEMBL22900201

SCHEMBL22900201

Cc1c2c(nn1C)C(=O)N(c1ccc3[nH]cnc3c1)C2c1c(F)cc(N2CCC(F)(F)C2)cc1F

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 11/20 0.55
▸ BRD4 O60885 9/20 0.39
▸ BRD2 P25440 8/20 0.39
▸ BRD3 Q15059 8/20 0.39
▸ CREBBP Q92793 2/20 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
SCHEMBL22900658 0.94 QPCT (0.63) QPCTBRD4BRD2BRD3
SCHEMBL22900208 0.93 QPCT (0.54) QPCTBRD4BRD2BRD3CREBBP
SCHEMBL22900494 0.92 QPCT (0.48) QPCTBRD4BRD2BRD3CREBBP
SCHEMBL22900238 0.88 QPCT (0.49) QPCTBRD4BRD2BRD3CREBBP
SCHEMBL22900247 0.88 QPCT (0.48) QPCTBRD4BRD2BRD3CREBBP
SCHEMBL22900575 0.88 QPCT (0.54) QPCTBRD4BRD2BRD3CREBBP
SCHEMBL22900187 0.86 QPCT (0.45) QPCTBRD4BRD2BRD3CREBBP
SCHEMBL22900246 0.85 QPCT (0.52) QPCTBRD4BRD2BRD3CREBBP
SCHEMBL22900401 0.84 BRD4 (0.44) QPCTBRD4BRD2BRD3CREBBP
SCHEMBL22900286 0.83 QPCT (0.42) 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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