SCHEMBL12898321

SCHEMBL12898321

COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc(C2=NCCC=C2)cs1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHB4 P54760 20/20 0.71
EPHA2 P29317 18/20 0.71
KDR P35968 18/20 0.71
ERBB2 P04626 6/20 0.71
EGFR P00533 2/20 0.59
FLT1 P17948 1/20 0.58

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
SCHEMBL1225748 0.83 EPHA2 (1.00) EPHB4EPHA2KDRERBB2EGFR
SCHEMBL907143 0.82 EPHA2 (1.00) EPHB4EPHA2KDRERBB2EGFR
SCHEMBL906839 0.81 EPHA2 (1.00) EPHB4EPHA2KDRERBB2EGFR
SCHEMBL1223873 0.81 EPHB4 (1.00) EPHB4EPHA2KDRERBB2EGFR
SCHEMBL906740 0.79 KDR (1.00) EPHB4EPHA2KDRERBB2EGFR
SCHEMBL12941851 0.78 EPHB4 (0.65) EPHB4EPHA2KDRERBB2EGFR
SCHEMBL14147986 0.78 EPHA2 (0.70) EPHB4EPHA2KDRERBB2
SCHEMBL907593 0.77 EPHB4 (0.85) EPHB4EPHA2KDRERBB2EGFR
SCHEMBL907101 0.77 EPHB4 (1.00) EPHB4EPHA2KDRERBB2EGFR
SCHEMBL2100447 0.77 KDR (0.80) EPHB4EPHA2KDRERBB2EGFR

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-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