SCHEMBL22900430

SCHEMBL22900430

O=C1c2scnc2C(c2ccc(Cl)cc2F)N1c1ccc2[nH]cnc2c1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 18/20 0.41
▸ BRD4 O60885 2/20 0.35
▸ BRD3 Q15059 2/20 0.35
▸ BRD2 P25440 1/20 0.35
▸ CREBBP Q92793 1/20 0.35

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
SCHEMBL22900460 0.85 QPCT (0.40) QPCTBRD4BRD3BRD2CREBBP
SCHEMBL22900454 0.85 QPCT (0.41) QPCTBRD4BRD3BRD2CREBBP
SCHEMBL22900596 0.82 QPCT (0.55) QPCT
SCHEMBL22900597 0.78 QPCT (0.34) QPCT
SCHEMBL22900399 0.78 BRD4 (0.41) QPCTBRD4BRD3BRD2CREBBP
SCHEMBL22900325 0.76 QPCT (0.40) QPCTBRD4BRD3BRD2CREBBP
SCHEMBL22900328 0.76 BRD2 (0.44) QPCTBRD4BRD3BRD2CREBBP
SCHEMBL22900431 0.75 CREBBP (0.33) BRD4BRD3BRD2CREBBP
SCHEMBL22900459 0.74 QPCT (0.40) QPCTBRD4BRD3BRD2CREBBP
SCHEMBL3814664 0.69 QPCT (0.42) QPCT

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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