SCHEMBL4052591

SCHEMBL4052591

Nc1ncc(-c2cnn(C3CCNCC3)c2)nc1-c1nc2cnccc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.64
FGFR1 P11362 7/20 0.50
FGFR2 P21802 7/20 0.50
FGFR3 P22607 7/20 0.50
ATR Q13535 5/20 0.48
MAP4K3 Q8IVH8 4/20 0.47
PIM1 P11309 1/20 0.44
MET P08581 1/20 0.43
KCNH2 Q12809 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
SCHEMBL4041430 0.89 EGFR (0.80) EGFRFGFR1FGFR2FGFR3ATR
SCHEMBL4038019 0.89 EGFR (0.80) EGFRFGFR1FGFR2FGFR3ATR
SCHEMBL4042032 0.85 EGFR (0.62) EGFRFGFR1FGFR2FGFR3ATR
SCHEMBL4045729 0.84 EGFR (0.60) EGFRFGFR1FGFR2FGFR3ATR
SCHEMBL4043542 0.83 EGFR (0.59) EGFRFGFR1FGFR2FGFR3ATR
SCHEMBL4044744 0.81 EGFR (0.56) EGFRFGFR1FGFR2FGFR3MAP4K3
SCHEMBL3952099 0.78 EGFR (0.59) EGFRFGFR1FGFR2FGFR3ATR
SCHEMBL4040666 0.78 EGFR (1.00) EGFRFGFR1FGFR2FGFR3ATR
SCHEMBL4052067 0.77 EGFR (0.55) EGFRFGFR1FGFR2FGFR3ATR
SCHEMBL3948919 0.77 EGFR (0.57) EGFRFGFR1FGFR2FGFR3ATR

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