SCHEMBL7743536

SCHEMBL7743536

N#Cc1ccc(Cn2cncc2CN2Cc3cc(-c4ccccc4)ccc3C[C@H]2C(=O)NCc2cccc(Cl)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FNTA P49354 18/20 0.53
FNTB P49356 18/20 0.53
PGGT1B P53609 4/20 0.47
KCNH2 Q12809 4/20 0.47
CYP3A4 P08684 1/20 0.47
NRAS P01111 1/20 0.45
HRAS P01112 1/20 0.45

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
SCHEMBL7743601 0.92 FNTA (0.61) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7744257 0.86 FNTA (0.49) FNTAFNTBPGGT1B
SCHEMBL7540064 0.82 FNTA (0.60) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7744133 0.81 FNTA (0.47) FNTAFNTBPGGT1B
SCHEMBL7744139 0.81 FNTA (0.47) FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL8483577 0.81 FNTA (0.46) FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL8483580 0.81 FNTA (0.46) FNTAFNTBPGGT1B
SCHEMBL8480643 0.79 CYP11B1 (0.49) FNTAFNTBPGGT1B
SCHEMBL8480647 0.79 CYP11B1 (0.49) FNTAFNTBPGGT1B
SCHEMBL7477932 0.78 FNTA (0.56) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-1999028313-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-06-10 WO disclosed