SCHEMBL22900229

SCHEMBL22900229

Cc1nn(C)c2c1C(c1ccc(-n3cc(C(F)(F)F)cn3)cc1F)N(c1ccc3[nH]cnc3c1)C2=O

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 3/20 0.39
▸ BRD2 P25440 17/20 0.38
▸ BRD3 Q15059 17/20 0.38
▸ BRD4 O60885 16/20 0.38
▸ CREBBP Q92793 15/20 0.38

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
SCHEMBL22900508 0.90 QPCT (0.41) QPCTBRD2BRD3BRD4CREBBP
SCHEMBL22900282 0.89 BRD4 (0.43) QPCTBRD2BRD3BRD4CREBBP
SCHEMBL22900731 0.85 BRD4 (0.46) QPCTBRD2BRD3BRD4CREBBP
SCHEMBL22900230 0.84 QPCT (0.37) QPCTBRD2BRD3BRD4CREBBP
SCHEMBL22900456 0.83 QPCT (0.51) QPCTBRD2BRD3BRD4CREBBP
SCHEMBL22900506 0.82 BRD4 (0.38) QPCTBRD2BRD3BRD4CREBBP
SCHEMBL22900232 0.82 QPCT (0.50) QPCTBRD2BRD3BRD4CREBBP
SCHEMBL22900567 0.81 BRD2 (0.36) BRD2BRD3BRD4CREBBP
SCHEMBL22900703 0.79 QPCT (0.39) QPCT
SCHEMBL22900343 0.79 QPCT (0.53) QPCTBRD2BRD3BRD4CREBBP

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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