SCHEMBL9958448

SCHEMBL9958448

CN(C)C1CN(C2CCN(OC(=O)Nc3cc(Oc4ccc(NC(=S)NC(=O)Cc5ccccc5)cc4F)ccn3)CC2)C1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MET P08581 20/20 0.49
KDR P35968 19/20 0.49
AURKA O14965 1/20 0.45
FPR1 P21462 1/20 0.45
FPR3 P25089 1/20 0.45
GPR183 P32249 1/20 0.45
SMO Q99835 1/20 0.45
GPR35 Q9HC97 1/20 0.45
FLT1 P17948 1/20 0.45
FLT4 P35916 1/20 0.45

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
SCHEMBL13861590 0.91 MET (0.50) METKDRAURKAFPR1FPR3
SCHEMBL9958154 0.87 MET (0.52) METKDRAURKAFPR1FPR3
SCHEMBL9959048 0.87 MET (0.44) METKDR
SCHEMBL9958796 0.86 MET (0.54) METKDRAURKAFPR1FPR3
SCHEMBL9958657 0.85 MET (0.48) METKDRAURKAFPR1FPR3
SCHEMBL9958118 0.84 MET (0.51) METKDRAURKAFPR1FPR3
SCHEMBL13861593 0.84 MET (0.49) METKDR
SCHEMBL5711084 0.84 MET (0.53) METKDRAURKAFPR1FPR3
SCHEMBL4325843 0.84 MET (0.53) METKDRAURKAFPR1FPR3
SCHEMBL4335688 0.84 MET (0.53) METKDRAURKAFPR1FPR3

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