SCHEMBL4044910

SCHEMBL4044910

CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc(N)c(-c4nc5cccc(OCc6ccccc6)c5[nH]4)n3)cn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.53
TNK2 Q07912 1/20 0.47
MET P08581 2/20 0.45
PRMT5 O14744 3/20 0.44
KDR P35968 3/20 0.44
FGFR1 P11362 2/20 0.44
FGFR2 P21802 2/20 0.44
FGFR4 P22455 2/20 0.44
FGFR3 P22607 2/20 0.44
FLT3 P36888 2/20 0.44
MAP4K3 Q8IVH8 1/20 0.44
ATR Q13535 1/20 0.43
AXL P30530 1/20 0.43
MERTK Q12866 1/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
MTOR P42345 1/20 0.43
PIK3CG P48736 1/20 0.43

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
SCHEMBL4046506 0.90 EGFR (0.53) EGFRTNK2METPRMT5KDR
SCHEMBL4047011 0.88 EGFR (0.56) EGFRTNK2METKDRFGFR1
SCHEMBL3950078 0.85 EGFR (0.72) EGFRTNK2KDRFGFR1FGFR2
SCHEMBL4045565 0.80 EGFR (0.58) EGFRTNK2METKDRFGFR1
SCHEMBL4047217 0.77 EGFR (0.73) EGFRFGFR1FGFR2FGFR3
SCHEMBL2387612 0.77 MET (0.62) EGFRTNK2METKDRFGFR1
SCHEMBL24288969 0.76 FGFR1 (0.63) TNK2METKDRFGFR1FGFR2
SCHEMBL4048129 0.75 EGFR (0.64) EGFRTNK2FGFR1FGFR2FGFR3
SCHEMBL4043236 0.75 EGFR (0.79) EGFRMETKDRATRPIK3CD
SCHEMBL29521878 0.74 TNK2 (0.53) EGFRTNK2METKDRFGFR1

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
WO-2009024825-A1 2-PYRAZINYLBENZIMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-02-26 WO disclosed