SCHEMBL5763613

SCHEMBL5763613

CC(C)(C)OC(=O)NCCCOc1ccc2c(c1)ncn2-c1ccc2cccc(OS(=O)(=O)C(F)(F)F)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.41
CA1 P00915 5/20 0.41
CA2 P00918 5/20 0.41
CA9 Q16790 5/20 0.41
BRD4 O60885 5/20 0.40
PDK2 Q15119 1/20 0.38
EGFR P00533 2/20 0.38
ITK Q08881 2/20 0.38
HPGD P15428 1/20 0.37
SUCNR1 Q9BXA5 1/20 0.37
FGFR1 P11362 1/20 0.37
GAK O14976 1/20 0.37
RIPK2 O43353 1/20 0.37
ULK1 O75385 1/20 0.37
STK10 O94804 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
LATS1 O95835 1/20 0.37
PAK4 O96013 1/20 0.37
NTRK1 P04629 1/20 0.37

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
SCHEMBL5764754 0.83 FGFR1 (0.41) FGFR1GAKRIPK2ULK1STK10
SCHEMBL3836336 0.81 FGFR1 (0.47) HPGDFGFR1GAKRIPK2ULK1
SCHEMBL5765884 0.78 IRAK4 (0.43) FGFR1GAKRIPK2ULK1STK10
SCHEMBL5764194 0.77 ESR2 (0.48) HPGDFGFR1GAKRIPK2ULK1
SCHEMBL4682250 0.76 FLT3 (0.60) FGFR1GAKRIPK2ULK1STK10
SCHEMBL29450836 0.76 FLT3 (0.60) FGFR1GAKRIPK2ULK1STK10
SCHEMBL5766013 0.76 MAP4K4 (0.49) HPGDGAKRIPK2ULK1STK10
SCHEMBL21632365 0.76 CA1 (0.53) CA12CA1CA2CA9PDK2
SCHEMBL5764828 0.75 GAK (0.39) BRD4PDK2SUCNR1FGFR1GAK
SCHEMBL14525194 0.74 ROCK1 (0.41) FGFR1LCKCDK2IRAK4

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
US-7019147-B1 Benzimidazole derivatives useful as antiproliferative agents PFIZER INC. (US) 2006-03-28 US disclosed
EP-1235825-B1 NOVEL BENZOIMIDAZOLE DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS PFIZER PROD INC (US) 2006-01-25 EP disclosed
EP-1235825-A1 NOVEL BENZOIMIDAZOLE DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS Pfizer Products Inc. (US) 2002-09-04 EP disclosed
WO-2001040217-A1 NOVEL BENZOIMIDAZOLE DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS PFIZER PRODUCTS INC. (US) 2001-06-07 WO disclosed