SCHEMBL4046316

SCHEMBL4046316

CN1CCN(c2ccc(-c3cnc(N)c(-c4nc5ccccc5[nH]4)n3)cn2)CC1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ATR Q13535 19/20 0.79
EGFR P00533 1/20 0.61
PRKDC P78527 1/20 0.60
ATM Q13315 1/20 0.60

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
SCHEMBL4041720 0.90 ATR (0.82) ATREGFRPRKDCATM
SCHEMBL4039257 0.89 ATR (0.80) ATREGFRPRKDCATM
SCHEMBL3057768 0.88 ATR (1.00) ATRPRKDCATM
SCHEMBL4003249 0.83 ATR (0.64) ATREGFRPRKDCATM
SCHEMBL4439513 0.79 ATR (0.81) ATREGFR
SCHEMBL2387033 0.78 ATR (0.71) ATRPRKDCATM
SCHEMBL3059386 0.78 ATR (0.73) ATRPRKDCATM
SCHEMBL4006264 0.78 ATR (0.69) ATREGFRPRKDCATM
SCHEMBL4045227 0.77 ATR (0.68) ATREGFR
SCHEMBL2484717 0.77 ATR (1.00) ATREGFRPRKDCATM

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