SCHEMBL22900303

SCHEMBL22900303

Cc1c2c(nn1C)C(=O)N(c1ccc3[nH]cnc3c1)C2c1ccc(-c2ccc(OC(F)(F)F)nc2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 11/20 0.39
▸ BRD2 P25440 10/20 0.39
▸ BRD3 Q15059 10/20 0.39
▸ QPCT Q16769 9/20 0.37
▸ CREBBP Q92793 5/20 0.36

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
SCHEMBL22900407 0.92 BRD4 (0.37) BRD4BRD2BRD3QPCTCREBBP
SCHEMBL22900541 0.88 BRD4 (0.44) BRD4BRD2BRD3QPCTCREBBP
SCHEMBL22900336 0.85 BRD4 (0.38) BRD4BRD2BRD3QPCTCREBBP
SCHEMBL22900517 0.83 QPCT (0.52) BRD4BRD2BRD3QPCTCREBBP
SCHEMBL22900334 0.82 QPCT (0.42) BRD4BRD2BRD3QPCT
SCHEMBL22900256 0.81 QPCT (0.54) BRD4BRD2BRD3QPCTCREBBP
SCHEMBL22900508 0.81 QPCT (0.41) BRD4BRD2BRD3QPCTCREBBP
SCHEMBL22900734 0.80 BRD4 (0.41) BRD4BRD2BRD3QPCTCREBBP
SCHEMBL22900680 0.80 BRD4 (0.41) BRD4BRD2BRD3QPCTCREBBP
SCHEMBL22900693 0.80 QPCT (0.52) BRD4BRD2BRD3QPCTCREBBP

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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