SCHEMBL455290

SCHEMBL455290

Cn1cnc(S(=O)(=O)N(CCN(Cc2cncn2C)c2ccc(C#N)nc2)CC2CCN(c3ncccn3)CC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FNTA P49354 19/20 1.00
FNTB P49356 19/20 1.00
PGGT1B P53609 8/20 0.81

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
SCHEMBL13989943 0.81 FNTA (1.00) FNTAFNTBPGGT1B
SCHEMBL15124860 0.80 FNTA (0.67) FNTAFNTBPGGT1B
SCHEMBL4899782 0.77 FNTA (1.00) FNTAFNTBPGGT1B
SCHEMBL15124696 0.74 FNTA (1.00) FNTAFNTBPGGT1B
SCHEMBL13989945 0.74 FNTA (0.81) FNTAFNTBPGGT1B
SCHEMBL4900066 0.73 FNTA (1.00) FNTAFNTBPGGT1B
SCHEMBL4897911 0.71 FNTA (1.00) FNTAFNTBPGGT1B
SCHEMBL13989941 0.71 FNTA (1.00) FNTAFNTBPGGT1B
SCHEMBL4898613 0.71 FNTA (1.00) FNTAFNTBPGGT1B
SCHEMBL4898120 0.70 FNTA (1.00) 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