SCHEMBL22900567

SCHEMBL22900567

Cc1nn(C)c2c1C(c1ccc(-n3cc(C(F)(F)F)cn3)cc1F)N(c1ccc3c(c1)ncn3COCC[Si](C)(C)C)C2=O

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BRD2 P25440 19/20 0.36
▸ BRD3 Q15059 19/20 0.36
▸ BRD4 O60885 18/20 0.36
▸ CREBBP Q92793 17/20 0.36
▸ DGAT1 O75907 1/20 0.32

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
SCHEMBL22900529 0.91 BRD4 (0.37) BRD2BRD3BRD4CREBBPDGAT1
SCHEMBL22900499 0.88 BRD4 (0.39) BRD2BRD3BRD4CREBBPDGAT1
SCHEMBL22900458 0.86 BRD2 (0.38) BRD2BRD3BRD4CREBBPDGAT1
SCHEMBL22900684 0.86 QPCT (0.36) BRD2BRD3BRD4CREBBPDGAT1
SCHEMBL22900736 0.84 BRD4 (0.38) BRD2BRD3BRD4CREBBP
SCHEMBL22900229 0.81 QPCT (0.39) BRD2BRD3BRD4CREBBP
SCHEMBL22900542 0.78 BRD4 (0.43) BRD2BRD3BRD4CREBBP
SCHEMBL22900354 0.78 BRD4 (0.38) BRD2BRD3BRD4CREBBPDGAT1
SCHEMBL22900503 0.77 BRD4 (0.42) BRD2BRD3BRD4CREBBP
SCHEMBL22900326 0.77 BRD2 (0.40) BRD2BRD3BRD4CREBBP

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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