SCHEMBL21077376

SCHEMBL21077376

COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1nccc(-c2ccc(C=N)c(NC(C)C)c2)n1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.54
KCNH2 Q12809 1/20 0.45

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
SCHEMBL26066575 0.94 EGFR (0.47) EGFRKCNH2
SCHEMBL26025350 0.84 EGFR (0.73) EGFRKCNH2
SCHEMBL30580292 0.80 EGFR (0.55) EGFRKCNH2
SCHEMBL30580258 0.80 EGFR (0.71) EGFR
SCHEMBL30580255 0.79 EGFR (0.52) EGFR
SCHEMBL18369604 0.79 EGFR (0.63) EGFR
SCHEMBL26027015 0.78 EGFR (0.71) EGFRKCNH2
SCHEMBL18369609 0.78 EGFR (0.68) EGFR
SCHEMBL19337022 0.78 EGFR (0.47) EGFRKCNH2
SCHEMBL23728980 0.78 EGFR (0.48) EGFRKCNH2

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
EP-3492462-A1 AMINO PYRIMIDINE COMPOUND FOR INHIBITING PROTEIN TYROSINE KINASE ACTIVITY Shenzhen Targetrx, Inc. (CN) 2019-06-05 EP disclosed