SCHEMBL22900736

SCHEMBL22900736

Cc1cnn(-c2ccc(C3c4c(nn(C)c4C)C(=O)N3c3ccc4c(c3)ncn4COCC[Si](C)(C)C)c(F)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 16/20 0.38
▸ BRD2 P25440 15/20 0.38
▸ BRD3 Q15059 15/20 0.38
▸ CREBBP Q92793 9/20 0.38
▸ MDM2 Q00987 4/20 0.33

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 0.93 BRD4 (0.37) BRD4BRD2BRD3CREBBPMDM2
SCHEMBL22900354 0.89 BRD4 (0.38) BRD4BRD2BRD3CREBBPMDM2
SCHEMBL22900364 0.87 BRD4 (0.37) BRD4BRD2BRD3CREBBPMDM2
SCHEMBL22900499 0.86 BRD4 (0.39) BRD4BRD2BRD3CREBBPMDM2
SCHEMBL22900355 0.86 BRD4 (0.36) BRD4BRD2BRD3CREBBP
SCHEMBL22900643 0.85 BRD4 (0.36) BRD4BRD2BRD3CREBBPMDM2
SCHEMBL22900446 0.84 QPCT (0.37) BRD4BRD2BRD3CREBBPMDM2
SCHEMBL22900567 0.84 BRD2 (0.36) BRD4BRD2BRD3CREBBP
SCHEMBL22900492 0.82 BRD4 (0.39) BRD4BRD2BRD3CREBBP
SCHEMBL22900445 0.81 BRD4 (0.41) BRD4BRD2BRD3CREBBPMDM2

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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