SCHEMBL9958340

SCHEMBL9958340

O=C(Cc1ccccc1)NC(=O)Nc1ccc(Oc2c[c]ncn2)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MET P08581 20/20 0.52
CYP3A4 P08684 4/20 0.51
KDR P35968 6/20 0.50

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
SCHEMBL9958254 0.91 MET (0.59) METKDR
SCHEMBL4337564 0.84 MET (0.62) METCYP3A4KDR
SCHEMBL6031858 0.84 MET (0.60) METCYP3A4KDR
SCHEMBL5711085 0.83 MET (0.59) METCYP3A4KDR
SCHEMBL4337559 0.82 MET (0.49) METCYP3A4KDR
SCHEMBL1136851 0.78 MET (0.57) METCYP3A4KDR
SCHEMBL13861046 0.77 KDR (0.64) METKDR
SCHEMBL1137024 0.76 MET (0.73) METCYP3A4
SCHEMBL4333424 0.76 MET (0.86) METCYP3A4KDR
SCHEMBL4344016 0.75 MET (0.60) METKDR

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
EP-1719762-B1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (1) EISAI R&D MAN CO LTD (JP) 2012-06-27 EP disclosed