SCHEMBL4044896

SCHEMBL4044896

Nc1ncc(-c2cncc(C(=O)O)c2)nc1-c1nc2ccccc2[nH]1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ATR Q13535 20/20 0.68
PRKDC P78527 1/20 0.58
ATM Q13315 1/20 0.58

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
SCHEMBL4006257 0.89 ATR (0.74) ATRPRKDCATM
SCHEMBL13138778 0.87 ATR (0.78) ATRPRKDCATM
SCHEMBL4045227 0.83 ATR (0.68) ATR
SCHEMBL2484717 0.82 ATR (1.00) ATRPRKDCATM
SCHEMBL3054972 0.81 ATR (1.00) ATRPRKDCATM
SCHEMBL13138782 0.81 ATR (0.77) ATRPRKDCATM
SCHEMBL13942955 0.80 EGFR (0.58) ATR
SCHEMBL2509897 0.79 ATR (1.00) ATRPRKDCATM
SCHEMBL3059386 0.78 ATR (0.73) ATRPRKDCATM
SCHEMBL2487776 0.77 ATR (1.00) ATRPRKDCATM

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