SCHEMBL456671

SCHEMBL456671

[CH2]CN(Cc1cncn1C)c1c(F)c(F)c(C#N)c(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FNTA P49354 11/20 0.46
FNTB P49356 11/20 0.46
PGGT1B P53609 8/20 0.46

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
SCHEMBL454713 0.81 FNTA (0.47) FNTAFNTBPGGT1B
SCHEMBL454839 0.75 FNTA (0.48) FNTAFNTBPGGT1B
SCHEMBL12473174 0.74 FNTA (0.56) FNTAFNTBPGGT1B
SCHEMBL453965 0.72 FNTA (0.50) FNTAFNTBPGGT1B
SCHEMBL455701 0.69 FNTA (0.48) FNTAFNTBPGGT1B
SCHEMBL453991 0.62 FNTA (0.59) FNTAFNTBPGGT1B
SCHEMBL906337 0.62
SCHEMBL3671519 0.61
SCHEMBL4900294 0.61 FNTA (0.58) FNTAFNTBPGGT1B
SCHEMBL23423665 0.60 CHRNB2 (0.43)

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