SCHEMBL9958100

SCHEMBL9958100

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 13/20 0.47
KDR P35968 9/20 0.46
PDGFRB P09619 5/20 0.46
FLT3 P36888 5/20 0.46
ABL1 P00519 2/20 0.46
BCR P11274 2/20 0.46
EPHB6 O15197 1/20 0.46
RIPK2 O43353 1/20 0.46
NTRK1 P04629 1/20 0.46
LCK P06239 1/20 0.46
LYN P07948 1/20 0.46
RET P07949 1/20 0.46
HCK P08631 1/20 0.46
EPHA2 P29317 1/20 0.46
EPHB2 P29323 1/20 0.46
ABL2 P42684 1/20 0.46
FRK P42685 1/20 0.46
LIMK1 P53667 1/20 0.46
EPHB3 P54753 1/20 0.46
EPHA5 P54756 1/20 0.46

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
SCHEMBL9958601 0.94 MET (0.48) METKDRPDGFRBFLT3ABL1
SCHEMBL13861551 0.90 MET (0.56) METKDRPDGFRBFLT3ABL1
SCHEMBL9958585 0.87 MET (0.43) METKDRPDGFRBFLT3ABL1
SCHEMBL9958154 0.86 MET (0.52) METKDRPDGFRBPDGFRAAXL
SCHEMBL9959048 0.86 MET (0.44) METKDRPDGFRBFLT3ABL1
SCHEMBL9958072 0.86 MET (0.58) METKDRPDGFRBFLT3PDGFRA
SCHEMBL4333734 0.86 MET (0.46) METKDRPDGFRBFLT3ABL1
SCHEMBL4333156 0.84 MET (0.63) METKDRPDGFRBFLT3ABL1
SCHEMBL4321618 0.84 MET (0.66) METKDRPDGFRBFLT3ABL1
SCHEMBL13861591 0.83 MET (0.58) METKDRPDGFRBFLT3ABL1

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