SCHEMBL7659533

SCHEMBL7659533

NC(=O)CC[C@H](NC(=O)c1ccc(NC(Cn2ccnc2)c2ccc(F)cc2)cc1-c1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP51A1 Q16850 6/20 0.46
FNTA P49354 3/20 0.46
FNTB P49356 3/20 0.46
PGGT1B P53609 2/20 0.46
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
PTGS2 P35354 1/20 0.44
AURKA O14965 1/20 0.41
PDPK1 O15530 1/20 0.41
RPS6KB1 P23443 1/20 0.41
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL7666164 0.90 CYP3A4 (0.45) CYP51A1FNTAFNTBPGGT1BCYP3A4
SCHEMBL7660388 0.88 FNTA (0.56) FNTAFNTBPGGT1BTDP1
SCHEMBL7666171 0.86 FNTA (0.49) CYP51A1FNTAFNTBPGGT1BCYP3A4
SCHEMBL7654320 0.86 FNTA (0.53) FNTAFNTBPGGT1BTDP1
SCHEMBL7657896 0.85 CYP51A1 (0.44) CYP51A1FNTAFNTBPGGT1BCYP3A4
SCHEMBL7667477 0.84 FNTA (0.53) CYP51A1FNTAFNTBPGGT1BCYP3A4
SCHEMBL7666173 0.83 PTGS2 (0.44) CYP51A1FNTAFNTBPGGT1BCYP3A4
SCHEMBL7669307 0.82 FNTA (0.45) CYP51A1FNTAFNTBPGGT1BCYP3A4
SCHEMBL7656236 0.82 FNTA (0.49) CYP51A1FNTAFNTBPGGT1BCYP3A4
SCHEMBL7667473 0.82 FNTA (0.54) CYP51A1FNTAFNTBPGGT1BCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6410539-B1 ANTICARCINOGENIC AGENTS ASTRAZENCA UK LIMITED (GB) 2002-06-25 US claimed
EP-1025089-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS FARNESYL PROTEIN TRANSFERASE INHIBITORS ZENECA LIMITED (GB) 2000-08-09 EP claimed
WO-1999020612-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS FARNESYL PROTEIN TRANSFERASE INHIBITORS ASTRAZENECA UK LIMITED (GB) 1999-04-29 WO claimed
US-6410539-B1 ANTICARCINOGENIC AGENTS ASTRAZENCA UK LIMITED (GB) 2002-06-25 US disclosed
EP-1025089-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS FARNESYL PROTEIN TRANSFERASE INHIBITORS ZENECA LIMITED (GB) 2000-08-09 EP disclosed
WO-1999020612-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS FARNESYL PROTEIN TRANSFERASE INHIBITORS ASTRAZENECA UK LIMITED (GB) 1999-04-29 WO disclosed