SCHEMBL22900515

SCHEMBL22900515

Cc1nn(C)c2c1C(c1ccc(B3OC(C)(C)C(C)(C)O3)cc1F)N(c1ccc3c(c1)ncn3C)C2=O

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BRD3 Q15059 20/20 0.39
▸ BRD2 P25440 19/20 0.39
▸ BRD4 O60885 19/20 0.39
▸ CREBBP Q92793 17/20 0.39

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
SCHEMBL22900723 0.86 QPCT (0.37) BRD3BRD2BRD4CREBBP
SCHEMBL22900514 0.83 BRD3 (0.43) BRD3BRD2BRD4CREBBP
SCHEMBL22900643 0.76 BRD4 (0.36) BRD3BRD2BRD4CREBBP
SCHEMBL22900724 0.76 BRD2 (0.39) BRD3BRD2BRD4CREBBP
SCHEMBL22900185 0.73 BRD4 (0.38) BRD3BRD2BRD4CREBBP
SCHEMBL22900645 0.71 BRD4 (0.41) BRD3BRD2BRD4CREBBP
SCHEMBL22900458 0.70 BRD2 (0.38) BRD3BRD2BRD4CREBBP
SCHEMBL13028375 0.70 GRM5 (0.42) —
SCHEMBL29520345 0.70 GRM5 (0.42) —
SCHEMBL22900456 0.68 QPCT (0.51) BRD3BRD2BRD4CREBBP

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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