SCHEMBL5758670

SCHEMBL5758670

CC(=O)NC(c1ccc(Cl)cc1)(c1cccc2c(-c3nc(-c4ccccc4)cs3)cc(=O)n(C)c12)c1cncn1C

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.46
FNTA P49354 11/20 0.43
FNTB P49356 11/20 0.43
PGGT1B P53609 1/20 0.39
RORC P51449 3/20 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
SCHEMBL5754306 0.87 CYP3A4 (0.55) CYP3A4FNTAFNTBPGGT1BRORC
SCHEMBL5753828 0.76 FNTA (0.71) CYP3A4FNTAFNTBRORC
SCHEMBL5756788 0.76 CYP3A4 (0.70) CYP3A4FNTAFNTBPGGT1B
SCHEMBL5755627 0.76 FNTA (0.55) CYP3A4FNTAFNTBPGGT1BRORC
SCHEMBL5756776 0.75 CYP3A4 (0.60) CYP3A4FNTAFNTBPGGT1B
SCHEMBL5509171 0.73 FNTA (0.73) CYP3A4FNTAFNTBPGGT1B
SCHEMBL5071351 0.72 FNTA (0.64) CYP3A4FNTAFNTBPGGT1B
SCHEMBL5736856 0.71 FNTA (0.73) CYP3A4FNTAFNTBPGGT1BRORC
SCHEMBL5755701 0.69 FNTA (0.54) CYP3A4FNTAFNTBPGGT1BRORC
SCHEMBL5734468 0.68 CYP3A4 (0.53) CYP3A4FNTAFNTBPGGT1B

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
EP-1351954-B1 FARNESYL TRANSFERASE INHIBITING 4-HETEROCYCLYL-QUINOLINE AND QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2006-05-03 EP claimed