SCHEMBL4380951

SCHEMBL4380951

Cn1cncc1C(Cl)(c1ccc(Cl)cc1)c1ccc2c(c1)C(c1cccc(Cl)c1)=NCc1nnnn1-2

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 19/20 0.59
FNTB P49356 19/20 0.59
PGGT1B P53609 4/20 0.59
OPRK1 P41145 1/20 0.39
PDE4D Q08499 1/20 0.39

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
SCHEMBL4373745 0.90 FNTA (0.73) FNTAFNTBPGGT1B
SCHEMBL4375553 0.89 FNTA (0.58) FNTAFNTBPGGT1B
SCHEMBL4373759 0.83 FNTA (0.81) FNTAFNTBPGGT1BOPRK1
SCHEMBL4374148 0.76 FNTA (0.63) FNTAFNTBPGGT1B
SCHEMBL4372103 0.74 FNTA (1.00) FNTAFNTBPGGT1BOPRK1
SCHEMBL4372062 0.74 OPRK1 (0.42) FNTAFNTBPGGT1BOPRK1PDE4D
SCHEMBL4380041 0.72 FNTA (0.79) FNTAFNTBPGGT1BOPRK1
SCHEMBL3365490 0.69 FNTA (0.80) FNTAFNTBPGGT1B
SCHEMBL4374336 0.67 FNTA (0.61) FNTAFNTBPGGT1BOPRK1PDE4D
SCHEMBL4382829 0.66 FNTA (0.62) 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-1339709-B1 FARNESYL TRANSFERASE INHIBITING BENZOHETEROCYCLIC DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2009-06-24 EP disclosed
US-7153958-B2 Farnesyl transferase inhibiting benzoheterocyclic derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-26 US disclosed