SCHEMBL22900277

SCHEMBL22900277

Cc1c2c(nn1C)C(=O)N(c1ccn3ccnc3c1)C2c1ccc(N2CCO[C@H](C)C2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 18/20 0.37
▸ BRD2 P25440 17/20 0.37
▸ BRD3 Q15059 17/20 0.37
▸ CREBBP Q92793 10/20 0.37
▸ GPER1 Q99527 1/20 0.34
▸ CYP3A4 P08684 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
SCHEMBL22900331 1.00 BRD4 (0.37) BRD4BRD2BRD3CREBBPGPER1
SCHEMBL22900428 0.83 QPCT (0.40) BRD4BRD2BRD3CREBBP
SCHEMBL22900623 0.82 QPCT (0.37) BRD4BRD2BRD3CREBBPGPER1
SCHEMBL22900415 0.82 QPCT (0.37) BRD4BRD2BRD3CREBBPGPER1
SCHEMBL22900540 0.82 BRD4 (0.42) BRD4BRD2BRD3CREBBP
SCHEMBL22900352 0.75 BRD4 (0.39) BRD4BRD2BRD3CREBBP
SCHEMBL22900274 0.74 GPER1 (0.38) GPER1
SCHEMBL22900705 0.73 QPCT (0.37) BRD4BRD2BRD3CREBBP
SCHEMBL22900192 0.71 QPCT (0.43) BRD4BRD2BRD3CREBBP
SCHEMBL22900351 0.71 BRD4 (0.45) BRD4BRD2BRD3CREBBPCYP3A4

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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