SCHEMBL4045729

SCHEMBL4045729

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

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.60
FGFR1 P11362 7/20 0.51
FGFR2 P21802 7/20 0.51
FGFR3 P22607 7/20 0.51
MAP4K3 Q8IVH8 4/20 0.48
MET P08581 2/20 0.46
NTRK1 P04629 1/20 0.45
ATR Q13535 3/20 0.44
ALK Q9UM73 1/20 0.44
KCNH2 Q12809 1/20 0.43
JAK2 O60674 1/20 0.43
ABL1 P00519 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 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
SCHEMBL4044744 0.93 EGFR (0.56) EGFRFGFR1FGFR2FGFR3MAP4K3
SCHEMBL4042032 0.90 EGFR (0.62) EGFRFGFR1FGFR2FGFR3MAP4K3
SCHEMBL4043542 0.86 EGFR (0.59) EGFRFGFR1FGFR2FGFR3MAP4K3
SCHEMBL4038019 0.86 EGFR (0.80) EGFRFGFR1FGFR2FGFR3MET
SCHEMBL2682349 0.85 MET (0.59) MAP4K3METNTRK1ALKKCNH2
SCHEMBL4052591 0.84 EGFR (0.64) EGFRFGFR1FGFR2FGFR3MAP4K3
SCHEMBL4047605 0.83 EGFR (0.62) EGFRFGFR1FGFR2FGFR3MET
SCHEMBL4044782 0.80 EGFR (0.61) EGFRFGFR1FGFR2FGFR3MET
SCHEMBL4045589 0.80 EGFR (0.56) EGFRFGFR1FGFR2FGFR3MAP4K3
SCHEMBL4044231 0.79 EGFR (0.78) EGFRFGFR1FGFR2FGFR3MET

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