SCHEMBL4038019

SCHEMBL4038019

Nc1ncc(-c2cnn(C3CCNCC3)c2)nc1-c1nc2ccccc2[nH]1

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.80
ATR Q13535 13/20 0.60
PRKDC P78527 1/20 0.52
ATM Q13315 1/20 0.52
FGFR1 P11362 3/20 0.51
FGFR2 P21802 3/20 0.51
FGFR3 P22607 3/20 0.51
MET P08581 2/20 0.50
KCNH2 Q12809 2/20 0.50

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
SCHEMBL4052591 0.89 EGFR (0.64) EGFRATRFGFR1FGFR2FGFR3
SCHEMBL4040666 0.89 EGFR (1.00) EGFRATRPRKDCATMFGFR1
SCHEMBL4042032 0.87 EGFR (0.62) EGFRATRFGFR1FGFR2FGFR3
SCHEMBL4045729 0.86 EGFR (0.60) EGFRATRFGFR1FGFR2FGFR3
SCHEMBL4043236 0.85 EGFR (0.79) EGFRATRPRKDCATMMET
SCHEMBL4043542 0.85 EGFR (0.59) EGFRATRFGFR1FGFR2FGFR3
SCHEMBL3952099 0.83 EGFR (0.59) EGFRATRFGFR1FGFR2FGFR3
SCHEMBL992230 0.83 MET (0.67) EGFRMETKCNH2
SCHEMBL4044744 0.83 EGFR (0.56) EGFRFGFR1FGFR2FGFR3MET
SCHEMBL3950078 0.83 EGFR (0.72) 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