SCHEMBL8525840

SCHEMBL8525840

C=CC(=O)Nc1cc2c(Nc3ccc(OCc4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1.C=CC(=O)Nc1cc2c(Nc3ccc(Oc4ccccc4)cc3)ncnc2cc1OCCCCN(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.64
ERBB2 P04626 6/20 0.62
SRC P12931 3/20 0.61
KIT P10721 2/20 0.61
ERBB3 P21860 2/20 0.61
ERBB4 Q15303 2/20 0.61
LCK P06239 2/20 0.61
FYN P06241 2/20 0.61
RET P07949 2/20 0.61
MET P08581 2/20 0.61
PDGFRA P16234 2/20 0.61
LTK P29376 2/20 0.61
KDR P35968 2/20 0.61
MAP2K2 P36507 2/20 0.61
MAP2K1 Q02750 2/20 0.61
BTK Q06187 2/20 0.61
TYRO3 Q06418 2/20 0.61
AURKB Q96GD4 2/20 0.61
MAP4K5 Q9Y4K4 2/20 0.61
BMPR1B O00238 1/20 0.61

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
SCHEMBL7237234 0.92 EGFR (0.72) EGFRERBB2SRCKITERBB3
SCHEMBL7236143 0.90 EGFR (0.75) EGFRERBB2SRCKITERBB3
SCHEMBL7243958 0.89 EGFR (0.71) EGFRERBB2ERBB4KDR
SCHEMBL23450870 0.87 EGFR (0.70) EGFRERBB2SRCKITERBB3
SCHEMBL7242679 0.87 EGFR (0.74) EGFRERBB2ERBB4KDRJAK3
SCHEMBL7233730 0.84 EGFR (0.73) EGFRERBB2SRCKITERBB3
SCHEMBL24751920 0.83 EGFR (0.65) EGFRERBB2SRCKITERBB3
SCHEMBL8525841 0.81 EGFR (0.61) EGFRERBB2SRCKITERBB3
SCHEMBL23451101 0.81 EGFR (0.73) EGFRERBB2SRCKITERBB3
SCHEMBL23450802 0.81 EGFR (0.65) EGFRERBB2SRCKITERBB3

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