SCHEMBL22900466

SCHEMBL22900466

Cc1nn(C)c2c1C(=O)N(c1ccc3c(c1)NCN3)C2c1ccc(Cl)cc1F

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BRD3 Q15059 19/20 0.46
▸ BRD2 P25440 18/20 0.46
▸ CREBBP Q92793 18/20 0.46
▸ BRD4 O60885 18/20 0.46
▸ TP53 P04637 1/20 0.37
▸ MDM2 Q00987 1/20 0.37

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
SCHEMBL22900661 0.83 BRD3 (0.41) BRD3BRD2CREBBPBRD4TP53
SCHEMBL22900328 0.80 BRD2 (0.44) BRD3BRD2CREBBPBRD4
SCHEMBL22900326 0.72 BRD2 (0.40) BRD3BRD2CREBBPBRD4TP53
SCHEMBL22900459 0.70 QPCT (0.40) BRD3BRD2CREBBPBRD4TP53
SCHEMBL22900728 0.69 BRD4 (0.41) BRD3BRD2CREBBPBRD4MDM2
SCHEMBL22900168 0.66 QPCT (0.53) BRD3BRD2CREBBPBRD4
SCHEMBL22900325 0.63 QPCT (0.40) BRD3BRD2CREBBPBRD4TP53
SCHEMBL17646151 0.63 BRD4 (1.00) BRD3BRD2CREBBPBRD4
SCHEMBL22900473 0.60 BRD3 (0.35) BRD3BRD2CREBBPBRD4TP53
SCHEMBL16245312 0.60 BRD2 (1.00) BRD3BRD2CREBBPBRD4

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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