SCHEMBL4015034

SCHEMBL4015034

Nc1ncc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)nc1-c1nc2ccccc2[nH]1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATR Q13535 18/20 0.72
PRKDC P78527 1/20 0.59
ATM Q13315 1/20 0.59
EGFR P00533 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL4008289 0.99 ATR (0.73) ATRPRKDCATMEGFRKDM4E
SCHEMBL2483748 0.89 ATR (0.71) ATRPRKDCATM
SCHEMBL2513033 0.84 ATR (1.00) ATRPRKDCATM
SCHEMBL28160890 0.83 KMT2A (0.57) KDM4EALDH1A1MAPTTSHRMAPK1
SCHEMBL4016014 0.82 ATR (0.66) ATRPRKDCATMEGFR
SCHEMBL4013295 0.82 ATR (0.57) ATRPRKDCATM
SCHEMBL4009204 0.81 ATR (0.67) ATRPRKDCATMEGFR
SCHEMBL4564500 0.79 ATR (0.64) ATRPRKDCATMEGFR
SCHEMBL4041720 0.77 ATR (0.82) ATRPRKDCATMEGFR
SCHEMBL4006264 0.77 ATR (0.69) 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