SCHEMBL4043561

SCHEMBL4043561

CN1CC(CO)OC1=Nc1ccc2ncnc(Nc3ccccc3S(=O)(=O)c3ccccc3)c2c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.36
ERBB2 P04626 5/20 0.34
GCK P35557 2/20 0.34
ERBB4 Q15303 4/20 0.34
BRAF P15056 2/20 0.33
CDK7 P50613 1/20 0.33
RAF1 P04049 1/20 0.33
CD38 P28907 1/20 0.33
BTK Q06187 1/20 0.33
TP53 P04637 1/20 0.33
EPHA2 P29317 1/20 0.32
KDR P35968 1/20 0.32
EPHB4 P54760 1/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL2989091 0.89 EGFR (0.46) EGFRERBB2ERBB4BRAFRAF1
SCHEMBL13206361 0.89 EGFR (0.46) EGFRERBB2ERBB4BRAFRAF1
SCHEMBL2994916 0.82 EGFR (0.38) EGFRERBB2GCKBRAFRAF1
SCHEMBL4035583 0.77 EGFR (0.37) EGFRCDK7BTKTP53
SCHEMBL2984085 0.76 EGFR (0.51) EGFRERBB2ERBB4
SCHEMBL2994908 0.71 EGFR (0.50) EGFRERBB2BRAFRAF1HTT
SCHEMBL2994910 0.71 EGFR (0.50) EGFRERBB2BRAFRAF1HTT
SCHEMBL2987644 0.70 EGFR (0.61) EGFRERBB2BRAFRAF1HTT
SCHEMBL2985098 0.70 EGFR (0.59) EGFRERBB2ERBB4
SCHEMBL3324105 0.67 EGFR (0.49) EGFRGCKBRAFCDK7RAF1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501427-B2 Quinazoline analogs as receptor tyrosine kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2009-03-10 US claimed