SCHEMBL7207240

SCHEMBL7207240

Cn1cncc1C(O)c1ccc2nc(Cl)nc(-c3cccc(Cl)c3)c2c1-c1ccc2ncccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.42
TGFBR2 P37173 1/20 0.42
MAT2A P31153 3/20 0.39
IDO1 P14902 1/20 0.36
PGGT1B P53609 2/20 0.36
KCNA5 P22460 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
FNTA P49354 5/20 0.34
FNTB P49356 5/20 0.34
GRM1 Q13255 1/20 0.33
PIK3CD O00329 1/20 0.33
ABL1 P00519 1/20 0.33
EGFR P00533 1/20 0.33
HCK P08631 1/20 0.33
SRC P12931 1/20 0.33

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
SCHEMBL7087571 0.89 IDO1 (0.40) IDO1PGGT1BFNTAFNTB
SCHEMBL7091329 0.81 IDO1 (0.39) IDO1PGGT1BADORA2AADORA1FNTA
SCHEMBL7091422 0.79 GAA (0.41) IDO1PGGT1BFNTAFNTB
SCHEMBL5016765 0.74 FNTA (0.46) MAT2AIDO1PGGT1BFNTAFNTB
SCHEMBL5655017 0.74 FNTA (0.38) IDO1PGGT1BFNTAFNTB
SCHEMBL7205417 0.74 IDO1 (0.43) IDO1PGGT1BFNTAFNTB
SCHEMBL7092843 0.73 FNTA (0.53) IDO1PGGT1BFNTAFNTB
SCHEMBL5550225 0.71 RORC (0.53) FNTAFNTB
SCHEMBL7210392 0.70 IDO1 (0.52) IDO1PGGT1BFNTAFNTB
SCHEMBL7164435 0.66 IDO1 (0.40) IDO1PGGT1BKCNA5FNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322650-A2 FARNESYL TRANSFERASE INHIBITING 6-HETEROCYCLYLMETHYL QUINOLINE AND QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2003-07-02 EP disclosed
WO-2002024686-A2 FARNESYL TRANSFERASE INHIBITING 6-HETEROCYCLYLMETHYL QUINOLINE AND QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2002-03-28 WO disclosed