SCHEMBL907124

SCHEMBL907124

COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCCN

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.72
EPHA2 P29317 13/20 0.72
EPHB4 P54760 12/20 0.72
ERBB2 P04626 5/20 0.72
EGFR P00533 8/20 0.71
AURKA O14965 1/20 0.69
INSR P06213 1/20 0.69
FBP1 P09467 1/20 0.69
PDGFRB P09619 1/20 0.69
FLT4 P35916 1/20 0.69
CLK1 P49759 1/20 0.69
TEK Q02763 1/20 0.69
AURKB Q96GD4 1/20 0.69

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
Hydrochloric Acid SCHEMBL907176 0.99 KDR (0.71) KDREPHA2EPHB4ERBB2EGFR
SCHEMBL14863005 0.92 EGFR (0.84) KDREPHB4ERBB2EGFRAURKA
SCHEMBL2100447 0.90 KDR (0.80) KDREPHA2EPHB4ERBB2EGFR
SCHEMBL5911655 0.87 EGFR (0.86) KDREPHB4ERBB2EGFRAURKA
SCHEMBL16295327 0.86 EGFR (0.78) KDREPHB4ERBB2EGFRAURKA
Hydrochloric Acid SCHEMBL5911498 0.86 EGFR (0.84) KDREPHB4ERBB2EGFRAURKA
SCHEMBL15217652 0.86 FBP1 (0.78) KDREPHB4ERBB2EGFRAURKA
SCHEMBL907406 0.85 KDR (0.68) KDREPHA2EPHB4ERBB2EGFR
SCHEMBL30520472 0.84 EGFR (0.87) KDREPHB4ERBB2EGFRAURKA
SCHEMBL13524614 0.84 EGFR (0.87) KDREPHB4ERBB2EGFRAURKA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1521747-B1 RECEPTOR-TYPE KINASE MODULATORS AND METHODS OF USE SYMPHONY EVOLUTION INC (US) 2018-09-05 EP disclosed
EP-2277867-B1 Compounds, pharmaceutical compositions thereof and their use in treating cancer SYMPHONY EVOLUTION INC (US) 2012-12-05 EP disclosed
EP-2280003-A2 Process for preparing receptor-type kinase modulators Symphony Evolution, Inc. (US) 2011-02-02 EP disclosed
EP-2277867-A2 Compounds, pharmaceutical compositions thereof and their use in treating cancer Symphony Evolution, Inc. (US) 2011-01-26 EP disclosed
EP-1521747-A4 RECEPTOR-TYPE KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2006-10-11 EP disclosed
EP-1521747-A2 RECEPTOR-TYPE KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2005-04-13 EP disclosed
WO-2004006846-A2 RECEPTOR-TYPE KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2004-01-22 WO disclosed