SCHEMBL8108625

SCHEMBL8108625

N#Cc1ccc(Cc2cncn2Cc2ccn(-c3cncc(Cl)n3)c(=O)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.47
CYP11B2 P19099 7/20 0.47
FNTA P49354 5/20 0.43
FNTB P49356 5/20 0.43
PGGT1B P53609 2/20 0.42
NRAS P01111 1/20 0.42
HRAS P01112 1/20 0.42
KCNH2 Q12809 2/20 0.42
CYP19A1 P11511 1/20 0.42
CYP3A4 P08684 1/20 0.41

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
SCHEMBL8098833 0.90 FNTA (0.48) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8108275 0.85 FNTA (0.40) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8107393 0.84 CYP11B1 (0.46) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8112632 0.84 CYP11B1 (0.49) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL3501862 0.83 FNTA (0.59) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL8098877 0.83 CYP11B1 (0.45) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8114057 0.83 FNTA (0.45) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL448443 0.82 FNTA (0.54) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8114048 0.82 FNTA (0.52) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8107174 0.82 FNTA (0.42) CYP11B1CYP11B2FNTAFNTBPGGT1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1003374-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-05-31 EP claimed
EP-1003374-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2000-05-31 EP claimed
WO-1998028980-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1998-07-09 WO claimed
US-6093737-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 2000-07-25 US disclosed