SCHEMBL8490290

SCHEMBL8490290

Nc1cc2c(Nc3ccc(C(=O)c4ncc[nH]4)c(Cl)c3)ncnc2cn1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.58
EGFR P00533 15/20 0.47
ERBB2 P04626 6/20 0.44
ERBB4 Q15303 3/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 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
SCHEMBL2998234 0.74 GRM1 (1.00) GRM1EGFRERBB2ERBB4KMT2A
SCHEMBL8307733 0.73 KMT2A (0.64) KMT2A
SCHEMBL8490286 0.72 KMT2A (0.40) EGFRKMT2A
SCHEMBL29714896 0.72 GRM1 (0.70) GRM1EGFRERBB2KMT2AMEN1
SCHEMBL22604134 0.72 GRM1 (0.70) GRM1EGFRERBB2KMT2AMEN1
SCHEMBL8783016 0.72 GRM4 (0.49) EGFRERBB2
SCHEMBL8305842 0.70 EGFR (0.60) EGFRERBB2
SCHEMBL8082013 0.70 EGFR (0.74) GRM1EGFRERBB2
SCHEMBL13402698 0.69 EGFR (0.62) EGFR
SCHEMBL13402694 0.69 EGFR (0.62) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999006378-A1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1999-02-11 WO claimed