Sugi Predict

Sugi Predict / Compounds / SCHEMBL22900726

SCHEMBL22900726

SCHEMBL22900726

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

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 13/20 0.40
▸ BRD2 P25440 12/20 0.40
▸ BRD3 Q15059 12/20 0.40
▸ QPCT Q16769 5/20 0.40
▸ CREBBP Q92793 6/20 0.38
▸ MDM2 Q00987 2/20 0.36
▸ MDM4 O15151 1/20 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
SCHEMBL22900256 0.87 QPCT (0.54) BRD4BRD2BRD3QPCTCREBBP
SCHEMBL22900702 0.86 BRD4 (0.38) BRD4BRD2BRD3QPCTCREBBP
SCHEMBL22900680 0.86 BRD4 (0.41) BRD4BRD2BRD3QPCTCREBBP
SCHEMBL22900734 0.86 BRD4 (0.41) BRD4BRD2BRD3QPCTCREBBP
SCHEMBL22900693 0.85 QPCT (0.52) BRD4BRD2BRD3QPCTCREBBP
SCHEMBL22900214 0.85 BRD4 (0.40) BRD4BRD2BRD3QPCTCREBBP
SCHEMBL22900395 0.85 BRD4 (0.40) BRD4BRD2BRD3QPCTCREBBP
SCHEMBL22900286 0.84 QPCT (0.42) BRD4BRD2BRD3QPCTCREBBP
SCHEMBL22900187 0.84 QPCT (0.45) BRD4BRD2BRD3QPCTCREBBP
SCHEMBL22900595 0.84 QPCT (0.41) 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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