SCHEMBL22900508

SCHEMBL22900508

Cc1c2c(nn1C)C(=O)N(c1ccc3[nH]cnc3c1)C2c1ccc(-n2cc(C(F)(F)F)cn2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 5/20 0.41
▸ BRD4 O60885 15/20 0.40
▸ BRD2 P25440 14/20 0.40
▸ BRD3 Q15059 14/20 0.40
▸ CREBBP Q92793 8/20 0.38

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
SCHEMBL22900506 0.91 BRD4 (0.38) QPCTBRD4BRD2BRD3CREBBP
SCHEMBL22900229 0.90 QPCT (0.39) QPCTBRD4BRD2BRD3CREBBP
SCHEMBL22900731 0.88 BRD4 (0.46) QPCTBRD4BRD2BRD3CREBBP
SCHEMBL22900503 0.86 BRD4 (0.42) BRD4BRD2BRD3CREBBP
SCHEMBL22900336 0.84 BRD4 (0.38) QPCTBRD4BRD2BRD3CREBBP
SCHEMBL22900256 0.84 QPCT (0.54) QPCTBRD4BRD2BRD3CREBBP
SCHEMBL22900517 0.83 QPCT (0.52) QPCTBRD4BRD2BRD3CREBBP
SCHEMBL22900680 0.82 BRD4 (0.41) QPCTBRD4BRD2BRD3CREBBP
SCHEMBL22900734 0.82 BRD4 (0.41) QPCTBRD4BRD2BRD3CREBBP
SCHEMBL22900693 0.82 QPCT (0.52) QPCTBRD4BRD2BRD3CREBBP

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
Send feedback