SCHEMBL455701

SCHEMBL455701

[CH2]CN(Cc1cncn1C)c1ccc(C#N)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FNTA P49354 15/20 0.48
FNTB P49356 15/20 0.48
PGGT1B P53609 10/20 0.42

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
SCHEMBL455458 0.86 FNTA (0.51) FNTAFNTBPGGT1B
SCHEMBL12473174 0.81 FNTA (0.56) FNTAFNTBPGGT1B
SCHEMBL453965 0.78 FNTA (0.50) FNTAFNTBPGGT1B
SCHEMBL454713 0.75 FNTA (0.47) FNTAFNTBPGGT1B
SCHEMBL454839 0.71 FNTA (0.48) FNTAFNTBPGGT1B
SCHEMBL3280363 0.71 PGR (0.40)
SCHEMBL456671 0.69 FNTA (0.46) FNTAFNTBPGGT1B
SCHEMBL453991 0.69 FNTA (0.59) FNTAFNTBPGGT1B
SCHEMBL15133290 0.69 FNTA (0.51) FNTAFNTBPGGT1B
SCHEMBL17301910 0.68 FNTA (0.43) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012034038-A2 DUAL INHIBITORS OF FARNESYLTRANSFERASE AND GERANYLGERANYLTRANSFERASE I H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2012-03-15 WO disclosed