SCHEMBL5764436

SCHEMBL5764436

CCOc1ccc2c(c1)ncn2-c1ccc2cc(-c3ccc(CNC(C)(C)C)cc3)ccc2n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
MAPT P10636 6/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 1/20 0.38
FGFR1 P11362 5/20 0.37
KDR P35968 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SRC P12931 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
CYP19A1 P11511 1/20 0.34
ACSS2 Q9NR19 1/20 0.34

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
SCHEMBL5766687 0.91 KDR (0.44) GAAMAPTKDM4EALDH1A1HPGD
SCHEMBL5767694 0.90 MAPT (0.42) GAAMAPTKDM4EALDH1A1HPGD
SCHEMBL5764091 0.86 IRAK4 (0.40) GAAMAPTKDM4EALDH1A1HPGD
SCHEMBL5766182 0.85 FGFR1 (0.43) GAAMAPTKDM4EALDH1A1HPGD
SCHEMBL5764431 0.84 GAA (0.41) GAAMAPTKDM4EALDH1A1HPGD
SCHEMBL5766162 0.82 KDR (0.46) GAAMAPTKDM4EALDH1A1HPGD
SCHEMBL5767045 0.80 BRAF (0.39) MAPTKDM4EALDH1A1HPGDFGFR1
SCHEMBL5763180 0.78 IRAK4 (0.48) MAPTKDM4EALDH1A1HPGDFGFR1
SCHEMBL5767256 0.77 KDR (0.47) MAPTKDM4EALDH1A1HPGDFGFR1
SCHEMBL5767103 0.77 BRAF (0.40) MAPTKDM4EALDH1A1HPGDFGFR1

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