SCHEMBL22900702

SCHEMBL22900702

Cc1c2c(nn1C)C(=O)N(c1ccc3[nH]cnc3c1)C2c1ccc(N2CCC(C#N)CC2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 12/20 0.38
▸ BRD2 P25440 11/20 0.38
▸ BRD3 Q15059 11/20 0.38
▸ QPCT Q16769 8/20 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
SCHEMBL22900595 0.92 QPCT (0.41) BRD4BRD2BRD3QPCTCREBBP
SCHEMBL22900365 0.91 BRD4 (0.39) BRD4BRD2BRD3QPCTCREBBP
SCHEMBL22900734 0.90 BRD4 (0.41) BRD4BRD2BRD3QPCTCREBBP
SCHEMBL22900680 0.90 BRD4 (0.41) BRD4BRD2BRD3QPCTCREBBP
SCHEMBL22900214 0.90 BRD4 (0.40) BRD4BRD2BRD3QPCTCREBBP
SCHEMBL22900383 0.89 BRD4 (0.38) BRD4BRD2BRD3QPCTCREBBP
SCHEMBL22900677 0.89 BRD4 (0.39) BRD4BRD2BRD3QPCTCREBBP
SCHEMBL22900240 0.88 QPCT (0.39) BRD4BRD2BRD3QPCTCREBBP
SCHEMBL22900192 0.88 QPCT (0.43) BRD4BRD2BRD3QPCTCREBBP
SCHEMBL22900278 0.88 QPCT (0.42) 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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