SCHEMBL4010962

SCHEMBL4010962

Nc1ncc(-c2cccc(CN3CCOCC3)c2)nc1-c1nc2ccccc2[nH]1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ATR Q13535 17/20 0.68
PARP1 P09874 1/20 0.50
EGFR P00533 1/20 0.49
PRKDC P78527 1/20 0.49
ATM Q13315 1/20 0.49
LRRK2 Q5S007 1/20 0.49

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
SCHEMBL4564500 0.92 ATR (0.64) ATREGFRPRKDCATM
SCHEMBL4007629 0.90 ATR (0.69) ATREGFRPRKDCATM
SCHEMBL4009691 0.84 ATR (0.72) ATREGFRPRKDCATM
SCHEMBL3063607 0.81 ATR (1.00) ATR
SCHEMBL29458584 0.81 ATR (1.00) ATR
SCHEMBL4013029 0.81 ATR (0.73) ATR
SCHEMBL2384961 0.81 ATR (0.50) ATRPRKDCATMLRRK2
SCHEMBL4443019 0.80 ATR (0.69) ATR
SCHEMBL3057768 0.79 ATR (1.00) ATRPRKDCATM
SCHEMBL4436195 0.79 ATR (0.67) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009007390-A2 2-PYRAZ INYLBENZ IMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-01-15 WO claimed
WO-2009007390-A2 2-PYRAZ INYLBENZ IMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-01-15 WO disclosed