SCHEMBL7169683

SCHEMBL7169683

Cn1cnnc1-c1c(C(O)c2ccc(I)cc2)ccc2c1c(-c1cccc(Cl)c1)nc1nnnn12

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FNTA P49354 3/20 0.40
FNTB P49356 3/20 0.40
PGGT1B P53609 1/20 0.40
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL7644048 0.81 FNTA (0.52) FNTAFNTBPGGT1B
SCHEMBL5659774 0.76 FNTA (0.52) FNTAFNTBPGGT1BMEN1CYP1A2
SCHEMBL7092843 0.76 FNTA (0.53) FNTAFNTBPGGT1B
SCHEMBL2177983 0.72 FNTA (0.54) FNTAFNTBPGGT1B
SCHEMBL5656175 0.71 FNTA (0.56) FNTAFNTBPGGT1BMEN1CYP1A2
SCHEMBL3979831 0.70 FNTA (0.38) FNTAFNTBPGGT1B
SCHEMBL5657377 0.70 FNTA (0.57) FNTAFNTBPGGT1BMEN1CYP1A2
SCHEMBL5656453 0.70 FNTA (0.59) FNTAFNTBPGGT1BMEN1CYP1A2
Hydrochloric Acid SCHEMBL5656686 0.69 FNTA (0.56) FNTAFNTBPGGT1BMEN1CYP1A2
SCHEMBL7091902 0.69 FNTA (0.54) FNTAFNTBPGGT1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322636-A1 FARNESYL TRANSFERASE INHIBITING 6- (SUBSTITUTED PHENYL)METHYL]-QUINOLINE AND QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2003-07-02 EP disclosed
WO-2002024683-A1 FARNESYL TRANSFERASE INHIBITING 6-[(SUBSTITUTED PHENYL)METHYL]-QUINOLINE AND QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2002-03-28 WO disclosed