SCHEMBL4187384

SCHEMBL4187384

O=C(O)C/C=C/C(=O)Nc1cc2c(Nc3cccc(Br)c3)ncnc2cn1

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.77
ERBB2 P04626 8/20 0.72
ERBB4 Q15303 1/20 0.64
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
TNK2 Q07912 1/20 0.60
MKNK1 Q9BUB5 1/20 0.60

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
SCHEMBL18359138 0.90 EGFR (0.80) EGFRERBB2ERBB4MEN1KMT2A
SCHEMBL7058784 0.88 EGFR (0.80) EGFRERBB2ERBB4
SCHEMBL2991352 0.87 EGFR (1.00) EGFRERBB2ERBB4MEN1KMT2A
SCHEMBL2991982 0.86 EGFR (1.00) EGFRERBB2ERBB4MEN1KMT2A
SCHEMBL2991983 0.86 EGFR (1.00) EGFRERBB2ERBB4MEN1KMT2A
SCHEMBL2994145 0.86 EGFR (1.00) EGFRERBB2ERBB4MEN1KMT2A
SCHEMBL2991995 0.85 EGFR (1.00) EGFRERBB2ERBB4MEN1KMT2A
SCHEMBL2991992 0.85 EGFR (1.00) EGFRERBB2ERBB4MEN1KMT2A
SCHEMBL2996888 0.84 EGFR (1.00) EGFRERBB2ERBB4MEN1KMT2A
SCHEMBL18359137 0.83 EGFR (0.68) EGFRERBB2ERBB4

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-B2 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER LAMBERT CO (US) 2009-11-18 EP disclosed
EP-0892789-B1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER LAMBERT CO (US) 2002-02-27 EP disclosed