SCHEMBL4044744

SCHEMBL4044744

Nc1ncc(-c2cnn(C3CCNCC3)c2)nc1-c1nc2cc(Cl)c(F)cc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.56
MAP4K3 Q8IVH8 6/20 0.51
FGFR3 P22607 8/20 0.49
FGFR1 P11362 7/20 0.49
FGFR2 P21802 6/20 0.49
MET P08581 7/20 0.47
JAK2 O60674 4/20 0.46
ALK Q9UM73 5/20 0.45
AXL P30530 3/20 0.45
MST1R Q04912 3/20 0.45
PLK4 O00444 2/20 0.44
AURKA O14965 2/20 0.44
DCLK1 O15075 2/20 0.44
PRKD3 O94806 2/20 0.44
ABL1 P00519 2/20 0.44
NTRK1 P04629 2/20 0.44
INSR P06213 2/20 0.44
LCK P06239 2/20 0.44
FES P07332 2/20 0.44
CSF1R P07333 2/20 0.44

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
SCHEMBL4045729 0.93 EGFR (0.60) EGFRMAP4K3FGFR3FGFR1FGFR2
SCHEMBL4042032 0.87 EGFR (0.62) EGFRMAP4K3FGFR3FGFR1FGFR2
SCHEMBL4043542 0.83 EGFR (0.59) EGFRMAP4K3FGFR3FGFR1FGFR2
SCHEMBL4038019 0.83 EGFR (0.80) EGFRFGFR3FGFR1FGFR2MET
SCHEMBL4052591 0.81 EGFR (0.64) EGFRMAP4K3FGFR3FGFR1FGFR2
SCHEMBL4047605 0.80 EGFR (0.62) EGFRFGFR3FGFR1FGFR2MET
SCHEMBL2682349 0.78 MET (0.59) MAP4K3METALKNTRK1FLT3
SCHEMBL4044782 0.77 EGFR (0.61) EGFRFGFR3FGFR1FGFR2MET
SCHEMBL4045589 0.77 EGFR (0.56) EGFRMAP4K3FGFR3FGFR1FGFR2
SCHEMBL4044231 0.77 EGFR (0.78) EGFRFGFR3FGFR1FGFR2MET

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