SCHEMBL4213635

SCHEMBL4213635

Nc1ncc(-c2cnn(C3CCN(CC4CCOC4)CC3)c2)nc1-c1nc2ccccc2[nH]1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.71
ATR Q13535 18/20 0.51
PRKDC P78527 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL4037269 0.89 EGFR (0.73) EGFRATRPRKDCATM
SCHEMBL4040666 0.83 EGFR (1.00) EGFRATRPRKDCATM
SCHEMBL4038019 0.81 EGFR (0.80) EGFRATRPRKDCATM
SCHEMBL4043236 0.80 EGFR (0.79) EGFRATRPRKDCATM
SCHEMBL4043233 0.78 EGFR (0.54) EGFR
SCHEMBL4044782 0.76 EGFR (0.61) EGFRATR
SCHEMBL3950078 0.76 EGFR (0.72) EGFRATR
SCHEMBL4049905 0.75 EGFR (0.64) EGFRATR
SCHEMBL4041430 0.75 EGFR (0.80) EGFRATR
SCHEMBL4052591 0.73 EGFR (0.64) EGFRATR

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