SCHEMBL4045866

SCHEMBL4045866

Nc1ncc(-c2cnn(C3CCNCC3)c2)nc1-c1nc2c(OCc3ccon3)cccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.50
MAP4K3 Q8IVH8 12/20 0.46
FGFR1 P11362 5/20 0.43
FGFR2 P21802 5/20 0.43
FGFR3 P22607 5/20 0.43
ATR Q13535 1/20 0.41
ALK Q9UM73 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
SCHEMBL4038434 0.86 EGFR (0.57) EGFRMAP4K3FGFR1FGFR2FGFR3
SCHEMBL4035619 0.86 EGFR (0.55) EGFRMAP4K3FGFR1FGFR2FGFR3
SCHEMBL4052605 0.84 EGFR (0.55) EGFRMAP4K3FGFR1FGFR2FGFR3
SCHEMBL4044869 0.84 MAP4K3 (0.56) EGFRMAP4K3FGFR1FGFR2FGFR3
SCHEMBL4052067 0.83 EGFR (0.55) EGFRMAP4K3FGFR1FGFR2FGFR3
SCHEMBL4038747 0.83 EGFR (0.54) EGFRMAP4K3FGFR1FGFR2FGFR3
SCHEMBL4048973 0.83 EGFR (0.50) EGFRMAP4K3FGFR1FGFR2FGFR3
SCHEMBL4045036 0.83 EGFR (0.57) EGFRMAP4K3FGFR1FGFR2FGFR3
SCHEMBL4036451 0.80 EGFR (0.62) EGFRMAP4K3FGFR1FGFR2FGFR3
SCHEMBL3952099 0.80 EGFR (0.59) EGFRMAP4K3FGFR1FGFR2FGFR3

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