SCHEMBL22900517

SCHEMBL22900517

Cc1c2c(nn1C)C(=O)N(c1ccc3[nH]cnc3c1)C2c1ccc(-c2cnc(C(F)(F)F)s2)cc1F

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 17/20 0.52
▸ BRD4 O60885 3/20 0.36
▸ BRD2 P25440 3/20 0.36
▸ BRD3 Q15059 3/20 0.36
▸ 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
SCHEMBL22900232 0.90 QPCT (0.50) QPCTBRD4BRD2BRD3CREBBP
SCHEMBL22900334 0.89 QPCT (0.42) QPCTBRD4BRD2BRD3
SCHEMBL22900601 0.87 QPCT (0.51) QPCTBRD4BRD2BRD3CREBBP
SCHEMBL22900336 0.84 BRD4 (0.38) QPCTBRD4BRD2BRD3CREBBP
SCHEMBL22900303 0.83 BRD4 (0.39) QPCTBRD4BRD2BRD3CREBBP
SCHEMBL22900508 0.83 QPCT (0.41) QPCTBRD4BRD2BRD3CREBBP
SCHEMBL22900407 0.82 BRD4 (0.37) QPCTBRD4BRD2BRD3CREBBP
SCHEMBL22900256 0.82 QPCT (0.54) QPCTBRD4BRD2BRD3CREBBP
SCHEMBL22900214 0.81 BRD4 (0.40) QPCTBRD4BRD2BRD3CREBBP
SCHEMBL22900734 0.81 BRD4 (0.41) 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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