SCHEMBL5764091

SCHEMBL5764091

CCOc1ccc2c(c1)ncn2-c1ccc2cc(-c3ccc(CNC4CC4)cc3)ccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 4/20 0.40
MAPT P10636 4/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
GAA P10253 1/20 0.38
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
LCK P06239 1/20 0.37
CDK1 P06493 1/20 0.37
APRT P07741 1/20 0.37
RET P07949 1/20 0.37
PDGFRB P09619 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
SCHEMBL5763180 0.92 IRAK4 (0.48) IRAK4MAPTKDM4EALDH1A1HPGD
SCHEMBL5767694 0.88 MAPT (0.42) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL5764436 0.86 GAA (0.43) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL5764085 0.85 IRAK4 (0.44) IRAK4MAPTKDM4EALDH1A1HPGD
SCHEMBL5766182 0.84 FGFR1 (0.43) IRAK4MAPTKDM4EALDH1A1HPGD
SCHEMBL5766162 0.79 KDR (0.46) IRAK4MAPTKDM4EALDH1A1HPGD
SCHEMBL5767045 0.78 BRAF (0.39) IRAK4MAPTKDM4EALDH1A1HPGD
SCHEMBL5766687 0.78 KDR (0.44) IRAK4MAPTKDM4EALDH1A1HPGD
SCHEMBL5763176 0.77 IRAK4 (0.50) IRAK4MAPTKDM4EALDH1A1HPGD
SCHEMBL5767156 0.76 KDR (0.46) IRAK4MAPTALDH1A1HPGDPDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1235825-B1 NOVEL BENZOIMIDAZOLE DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS PFIZER PROD INC (US) 2006-01-25 EP claimed