SCHEMBL8470435

SCHEMBL8470435

CCN(CC)CCCNC(=O)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.69
ERBB2 P04626 18/20 0.69
ERBB4 Q15303 13/20 0.69
JAK3 P52333 3/20 0.62
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
ABL1 P00519 1/20 0.53
RET P07949 1/20 0.53

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
SCHEMBL4187462 0.85 EGFR (0.75) EGFRERBB2ERBB4JAK3MEN1
SCHEMBL4187517 0.84 EGFR (0.85) EGFRERBB2ERBB4JAK3ABL1
SCHEMBL4184896 0.83 EGFR (0.78) EGFRERBB2ERBB4JAK3MEN1
SCHEMBL7220061 0.78 EGFR (0.79) EGFRERBB2ERBB4JAK3MEN1
SCHEMBL4196716 0.78 EGFR (0.74) EGFRERBB2
SCHEMBL4350856 0.77 EGFR (0.75) EGFRERBB2ERBB4JAK3MEN1
SCHEMBL4194333 0.77 EGFR (0.72) EGFRERBB2ERBB4JAK3MEN1
SCHEMBL16994110 0.76 EGFR (0.69) EGFRERBB2ERBB4JAK3MEN1
SCHEMBL2993868 0.76 EGFR (1.00) EGFRERBB2ERBB4JAK3MEN1
SCHEMBL4180544 0.76 EGFR (0.71) EGFRERBB2ERBB4JAK3MEN1

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-0892789-A1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1999-01-27 EP claimed
WO-1997038983-A1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1997-10-23 WO claimed