SCHEMBL5066746

SCHEMBL5066746

NS(=O)(=O)c1ccc(Nc2nc3ncnc(Nc4ccc(CCN5CCOCC5)cc4)c3s2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.74
CDK1 P06493 1/20 0.55
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
ABL1 P00519 1/20 0.43
ERBB2 P04626 1/20 0.43
MET P08581 1/20 0.43
PDGFRB P09619 1/20 0.43
KIT P10721 1/20 0.43
FGFR1 P11362 1/20 0.43
SRC P12931 1/20 0.43
FLT1 P17948 1/20 0.43
FGFR2 P21802 1/20 0.43
EPHA2 P29317 1/20 0.43
EPHB2 P29323 1/20 0.43
KDR P35968 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CCNA1 P78396 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
SCHEMBL5067329 0.85 EGFR (1.00) EGFRCDK1CA1CA2CA9
SCHEMBL5069437 0.85 EGFR (0.70) EGFRCDK1
SCHEMBL13672600 0.81 EGFR (1.00) EGFRABL1ERBB2METKIT
SCHEMBL13674981 0.81 EGFR (0.81) EGFR
SCHEMBL5066744 0.81 EGFR (0.74) EGFRCDK1CA1CA2CA9
SCHEMBL5063878 0.80 EGFR (1.00) EGFRCDK1CA1CA2CA9
SCHEMBL13672652 0.80 EGFR (0.85) EGFR
SCHEMBL13675046 0.79 EGFR (0.83) EGFRCDK1CA1CA2CA9
SCHEMBL5134221 0.78 EGFR (1.00) EGFRCDK1CA1CA2CCNA2
SCHEMBL14462123 0.77 EGFR (0.80) EGFR

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
EP-1912639-A2 THIAZOLOPYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-23 EP disclosed
WO-2007019191-A2 THIAZOLOPYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-02-15 WO disclosed