SCHEMBL5066744

SCHEMBL5066744

CC(c1ccc(Nc2ncnc3nc(Nc4ccc(S(N)(=O)=O)cc4)sc23)cc1)N1CCOCC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.74
CDK1 P06493 1/20 0.55
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
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
CCNA2 P20248 2/20 0.41
CDK2 P24941 2/20 0.41

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) EGFRCDK1ABL1ERBB2MET
SCHEMBL13675046 0.81 EGFR (0.83) EGFRCDK1ABL1ERBB2MET
SCHEMBL5066746 0.81 EGFR (0.74) EGFRCDK1ABL1ERBB2MET
SCHEMBL5063878 0.80 EGFR (1.00) EGFRCDK1ABL1ERBB2MET
SCHEMBL5069437 0.78 EGFR (0.70) EGFRCDK1
SCHEMBL5134221 0.78 EGFR (1.00) EGFRCDK1CA1CA2CCNA2
SCHEMBL5066710 0.74 EGFR (0.83) EGFRCDK1CA1CA2CCNA2
SCHEMBL13672688 0.74 EGFR (1.00) EGFRCDK1CA12CA1CA2
SCHEMBL13675045 0.73 EGFR (0.74) EGFRCDK1CCNA2CDK2CCNA1
SCHEMBL13675240 0.73 EGFR (0.79) EGFRCDK1

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