SCHEMBL7743601

SCHEMBL7743601

N#Cc1ccc(Cn2cncc2CN2Cc3ccccc3C[C@H]2C(=O)NCc2cccc(Cl)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 19/20 0.61
FNTB P49356 19/20 0.61
KCNH2 Q12809 3/20 0.51
PGGT1B P53609 2/20 0.51
CYP3A4 P08684 1/20 0.51

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
SCHEMBL7743536 0.92 FNTA (0.53) FNTAFNTBKCNH2PGGT1BCYP3A4
SCHEMBL7540064 0.89 FNTA (0.60) FNTAFNTBKCNH2PGGT1BCYP3A4
SCHEMBL7536075 0.83 FNTA (0.52) FNTAFNTBPGGT1B
SCHEMBL7477932 0.83 FNTA (0.56) FNTAFNTBPGGT1B
SCHEMBL7738318 0.81 FNTA (0.53) FNTAFNTBPGGT1B
SCHEMBL8479891 0.81 FNTA (0.53) FNTAFNTBPGGT1B
SCHEMBL7533614 0.80 FNTA (0.59) FNTAFNTBPGGT1B
SCHEMBL7533105 0.80 FNTA (0.51) FNTAFNTBPGGT1B
SCHEMBL7738308 0.78 FNTA (0.51) FNTAFNTBPGGT1B
SCHEMBL7738301 0.78 FNTA (0.51) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5977134-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-11-02 US claimed
EP-1045843-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-10-24 EP disclosed
EP-1045843-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-10-25 EP disclosed
US-5977134-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-11-02 US disclosed
WO-1999028313-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-06-10 WO disclosed