SCHEMBL4007629

SCHEMBL4007629

Nc1ncc(-c2ccc(CN3CCOCC3)cc2)nc1-c1nc2ccccc2[nH]1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ATR Q13535 19/20 0.69
PRKDC P78527 1/20 0.56
ATM Q13315 1/20 0.56
EGFR P00533 1/20 0.51

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
SCHEMBL4010962 0.90 ATR (0.68) ATRPRKDCATMEGFR
SCHEMBL3057768 0.82 ATR (1.00) ATRPRKDCATM
SCHEMBL4009915 0.81 ATR (0.77) ATRPRKDCATMEGFR
SCHEMBL4564500 0.81 ATR (0.64) ATRPRKDCATMEGFR
SCHEMBL2387411 0.80 ATR (0.57) ATRPRKDCATM
SCHEMBL4006264 0.79 ATR (0.69) ATRPRKDCATMEGFR
SCHEMBL4009691 0.79 ATR (0.72) ATRPRKDCATMEGFR
SCHEMBL4297778 0.79 ATR (0.58) ATRPRKDCATMEGFR
SCHEMBL2484717 0.79 ATR (1.00) ATRPRKDCATMEGFR
SCHEMBL4009550 0.78 ATR (0.72) ATRPRKDCATMEGFR

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