SCHEMBL4045227

SCHEMBL4045227

CN1CCN(C(=O)c2cncc(-c3cnc(N)c(-c4nc5ccccc5[nH]4)n3)c2)CC1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ATR Q13535 19/20 0.68
EGFR P00533 1/20 0.56

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
SCHEMBL4439513 0.91 ATR (0.81) ATREGFR
SCHEMBL13942955 0.84 EGFR (0.58) ATREGFR
SCHEMBL4044896 0.83 ATR (0.68) ATR
SCHEMBL29458584 0.81 ATR (1.00) ATR
SCHEMBL3063607 0.81 ATR (1.00) ATR
SCHEMBL2509386 0.80 ATR (1.00) ATR
SCHEMBL4012884 0.80 ATR (0.81) ATR
SCHEMBL23153629 0.79 ATR (0.93) ATR
SCHEMBL4003249 0.78 ATR (0.64) ATREGFR
SCHEMBL2509492 0.77 ATR (1.00) ATR

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