SCHEMBL4044869

SCHEMBL4044869

Nc1ncc(-c2cnn(C3CCNCC3)c2)nc1-c1nc2c(OCC3CCCC3)cccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP4K3 Q8IVH8 7/20 0.56
EGFR P00533 1/20 0.53
FGFR1 P11362 6/20 0.46
FGFR2 P21802 6/20 0.46
FGFR3 P22607 6/20 0.46
ATR Q13535 4/20 0.43
AXL P30530 1/20 0.42
MERTK Q12866 1/20 0.42
ALK Q9UM73 1/20 0.41

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
SCHEMBL4035619 0.97 EGFR (0.55) MAP4K3EGFRFGFR1FGFR2FGFR3
SCHEMBL4052067 0.90 EGFR (0.55) MAP4K3EGFRFGFR1FGFR2FGFR3
SCHEMBL4038434 0.90 EGFR (0.57) MAP4K3EGFRFGFR1FGFR2FGFR3
SCHEMBL4048973 0.89 EGFR (0.50) MAP4K3EGFRFGFR1FGFR2FGFR3
SCHEMBL4052605 0.88 EGFR (0.55) MAP4K3EGFRFGFR1FGFR2FGFR3
SCHEMBL4038747 0.86 EGFR (0.54) MAP4K3EGFRFGFR1FGFR2FGFR3
SCHEMBL4045036 0.86 EGFR (0.57) MAP4K3EGFRFGFR1FGFR2FGFR3
SCHEMBL4036451 0.85 EGFR (0.62) MAP4K3EGFRFGFR1FGFR2FGFR3
SCHEMBL4045866 0.84 EGFR (0.50) MAP4K3EGFRFGFR1FGFR2FGFR3
SCHEMBL3952099 0.83 EGFR (0.59) MAP4K3EGFRFGFR1FGFR2FGFR3

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