SCHEMBL9958601

SCHEMBL9958601

CN1CC(N2CCN(OC(=O)Nc3cc(Oc4ccc(NC(=O)NC(=O)Cc5ccc(F)cc5)cc4)ccn3)CC2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 9/20 0.48
KDR P35968 12/20 0.48
BRAF P15056 7/20 0.48
PDGFRB P09619 5/20 0.47
FLT3 P36888 5/20 0.47
MAPK14 Q16539 2/20 0.47
ABL1 P00519 2/20 0.47
BCR P11274 2/20 0.47
EPHB6 O15197 1/20 0.47
RIPK2 O43353 1/20 0.47
NTRK1 P04629 1/20 0.47
LCK P06239 1/20 0.47
LYN P07948 1/20 0.47
RET P07949 1/20 0.47
HCK P08631 1/20 0.47
EPHA2 P29317 1/20 0.47
EPHB2 P29323 1/20 0.47
ABL2 P42684 1/20 0.47
FRK P42685 1/20 0.47
LIMK1 P53667 1/20 0.47

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
SCHEMBL9958100 0.94 MET (0.47) METKDRBRAFPDGFRBFLT3
SCHEMBL9958072 0.92 MET (0.58) METKDRBRAFPDGFRBFLT3
SCHEMBL13861591 0.90 MET (0.58) METKDRBRAFPDGFRBFLT3
SCHEMBL9958797 0.87 MET (0.51) METKDRBRAFPDGFRBFLT3
SCHEMBL9958536 0.86 MET (0.49) METKDRBRAFPDGFRBFLT3
SCHEMBL4330221 0.84 MET (0.66) METKDRBRAFPDGFRBFLT3
SCHEMBL13861551 0.83 MET (0.56) METKDRBRAFPDGFRBFLT3
SCHEMBL4333105 0.83 MET (0.69) METKDRBRAFPDGFRBFLT3
SCHEMBL13861601 0.82 MET (0.60) METKDRBRAFPDGFRBFLT3
SCHEMBL13861599 0.82 MET (0.49) METKDRBRAFPDGFRBFLT3

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 claimed