SCHEMBL4461944

SCHEMBL4461944

COc1cc2ncc(C)c(Nc3ccc(F)c(Cl)c3)c2cc1N1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.60
ERBB2 P04626 4/20 0.56
CSF1R P07333 8/20 0.55
AURKA O14965 1/20 0.49
INSR P06213 1/20 0.49
FBP1 P09467 1/20 0.49
PDGFRB P09619 1/20 0.49
FLT4 P35916 1/20 0.49
KDR P35968 1/20 0.49
CLK1 P49759 1/20 0.49
EPHB4 P54760 1/20 0.49
TEK Q02763 1/20 0.49
AURKB Q96GD4 1/20 0.49

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
SCHEMBL4461950 0.92 EGFR (0.59) EGFRERBB2CSF1RAURKAINSR
SCHEMBL1894145 0.87 EGFR (0.76) EGFRERBB2
SCHEMBL1900730 0.83 EGFR (0.79) EGFRERBB2
SCHEMBL1894888 0.80 EGFR (0.74) EGFRERBB2
SCHEMBL2909935 0.76 CSF1R (0.85) CSF1R
SCHEMBL2910769 0.76 CSF1R (0.68) EGFRCSF1RCLK1
SCHEMBL1896814 0.73 EGFR (0.78) EGFRERBB2
SCHEMBL2912246 0.73 KCNH2 (0.62) EGFRCSF1R
SCHEMBL2910987 0.72 KCNH2 (0.74) CSF1R
SCHEMBL5106023 0.72 EGFR (1.00) EGFRERBB2

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