SCHEMBL6166742

SCHEMBL6166742

CN1CCN(C(c2ccc(Cl)cc2)(c2ccc3c(c2)c(-c2cccc(Cl)c2)cc(=O)n3C)c2cncn2C)CC1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FNTA P49354 13/20 0.72
FNTB P49356 13/20 0.72
CYP3A4 P08684 7/20 0.59
PGGT1B P53609 2/20 0.57

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
SCHEMBL6161541 0.94 FNTA (0.75) FNTAFNTBCYP3A4PGGT1B
SCHEMBL6162034 0.93 FNTA (0.74) FNTAFNTBCYP3A4PGGT1B
SCHEMBL7673444 0.89 FNTA (0.58) FNTAFNTBCYP3A4PGGT1B
SCHEMBL7665450 0.85 FNTA (0.72) FNTAFNTBCYP3A4PGGT1B
Tipifarnib SCHEMBL23633189 0.84 FNTA (0.80) FNTAFNTBCYP3A4PGGT1B
(S)-Tipifarnib SCHEMBL4429738 0.84 FNTA (0.80) FNTAFNTBCYP3A4PGGT1B
Tipifarnib SCHEMBL21544535 0.84 FNTA (0.80) FNTAFNTBCYP3A4PGGT1B
Tipifarnib SCHEMBL22772860 0.84 FNTA (0.80) FNTAFNTBCYP3A4PGGT1B
Tipifarnib SCHEMBL8097 0.84 FNTA (0.80) FNTAFNTBCYP3A4PGGT1B
SCHEMBL11947168 0.84 FNTA (1.00) FNTAFNTBCYP3A4PGGT1B

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-1107962-B1 QUINOLIN-2-ONE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PROD INC (US) 2005-02-23 EP disclosed