SCHEMBL6017285

SCHEMBL6017285

Cc1cc(Nc2ncnc3ccc(O)cc23)ccc1Oc1ccc(S(C)(=O)=O)nc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 13/20 0.51
EGFR P00533 8/20 0.51
FECH P22830 1/20 0.51
CDK8 P49336 1/20 0.51
MAP2K5 Q13163 1/20 0.51
CDK19 Q9BWU1 1/20 0.51
MKNK2 Q9HBH9 1/20 0.51
ERBB3 P21860 1/20 0.50
ERBB4 Q15303 1/20 0.50
HDAC1 Q13547 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
GCK P35557 2/20 0.45
KCNH2 Q12809 2/20 0.45
RAF1 P04049 2/20 0.44
BRAF P15056 2/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL5564348 0.87 ERBB2 (0.66) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL24832693 0.77 ERBB2 (0.68) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL3387660 0.76 ERBB2 (0.51) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL3387665 0.76 ERBB2 (0.51) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL30576206 0.76 ERBB2 (0.53) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL25429034 0.76 ERBB2 (0.53) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL24569330 0.76 ERBB2 (0.67) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL29888726 0.76 ERBB2 (0.67) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL4866251 0.76 EGFR (0.67) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL26003790 0.76 ERBB2 (0.46) ERBB2EGFRFECHCDK8MAP2K5

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-1664028-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS AstraZeneca AB (SE) 2006-06-07 EP disclosed
WO-2005026151-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2005-03-24 WO disclosed