SCHEMBL4044782

SCHEMBL4044782

Nc1ncc(-c2cnn(C3CCOCC3)c2)nc1-c1nc2cc(F)ccc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.61
ATR Q13535 5/20 0.49
JAK2 O60674 6/20 0.47
JAK1 P23458 2/20 0.47
JAK3 P52333 2/20 0.47
MET P08581 5/20 0.45
NTRK1 P04629 2/20 0.43
FGFR1 P11362 2/20 0.42
FGFR2 P21802 2/20 0.42
FGFR3 P22607 2/20 0.42
ABL1 P00519 1/20 0.41
TYK2 P29597 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
SCHEMBL4042032 0.90 EGFR (0.62) EGFRATRJAK2JAK1JAK3
SCHEMBL4044231 0.89 EGFR (0.78) EGFRATRMETNTRK1FGFR1
SCHEMBL4049905 0.86 EGFR (0.64) EGFRATRMETNTRK1FGFR1
SCHEMBL4045589 0.85 EGFR (0.56) EGFRATRJAK2JAK1JAK3
SCHEMBL4047605 0.85 EGFR (0.62) EGFRATRMETNTRK1FGFR1
SCHEMBL4045787 0.82 EGFR (0.78) EGFRATRMETNTRK1FGFR1
SCHEMBL4049196 0.81 ATR (0.51) EGFRATRFGFR1FGFR2FGFR3
SCHEMBL4045729 0.80 EGFR (0.60) EGFRATRJAK2JAK1JAK3
SCHEMBL4043542 0.79 EGFR (0.59) EGFRATRFGFR1FGFR2FGFR3
SCHEMBL4041919 0.79 EGFR (0.79) EGFRATRFGFR1FGFR2FGFR3

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