SCHEMBL4557789

SCHEMBL4557789

COc1cc2c(Nc3ccc(Cc4ccoc4)cc3)ccnc2cc1OCCCN1CCOCC1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 12/20 0.73
SRC P12931 4/20 0.57
EGFR P00533 1/20 0.53
FGFR2 P21802 1/20 0.53
KDR P35968 1/20 0.52
EHMT2 Q96KQ7 1/20 0.51
EHMT1 Q9H9B1 1/20 0.51
MET P08581 1/20 0.51

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
SCHEMBL4557892 0.87 MAP2K1 (0.73) MAP2K1SRCEGFRFGFR2KDR
SCHEMBL4558340 0.86 MAP2K1 (0.71) MAP2K1SRCEGFRFGFR2KDR
SCHEMBL4448999 0.85 MAP2K1 (1.00) MAP2K1EGFR
SCHEMBL4447904 0.83 MAP2K1 (0.72) MAP2K1SRCEGFRFGFR2KDR
SCHEMBL18828353 0.83 SRC (0.57) MAP2K1SRCEGFRFGFR2KDR
SCHEMBL12308286 0.80 EGFR (0.77) SRCEGFRKDRMET
SCHEMBL27731209 0.80 KDR (0.62) SRCEGFRKDRMET
SCHEMBL4445567 0.80 SRC (0.62) MAP2K1SRCEGFRFGFR2KDR
SCHEMBL4447835 0.79 MAP2K1 (0.64) MAP2K1SRCFGFR2KDRMET
SCHEMBL12469296 0.76 AXL (0.73) SRCEGFRKDREHMT2EHMT1

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-2009151910-A2 COMBINATION PRODUCT OF RECEPTOR TYROSINE KINASE INHIBITOR AND FATTY ACID SYNTHASE INHIBITOR FOR TREATING CANCER WYETH (US) 2009-12-17 WO disclosed