SCHEMBL4040661

SCHEMBL4040661

CNC(=O)c1cc(COc2nnc(Nc3ccc(C(F)(F)F)cc3)c3ccsc23)ccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 4/20 0.57
KDR P35968 3/20 0.57
MAP3K20 Q9NYL2 2/20 0.57
PDGFRB P09619 1/20 0.57
FLT4 P35916 1/20 0.57
ILK Q13418 1/20 0.57
BRAF P15056 9/20 0.43
RAF1 P04049 6/20 0.42
ADORA1 P30542 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
PLK4 O00444 1/20 0.38
AURKA O14965 1/20 0.38
MAPK13 O15264 1/20 0.38
JAK2 O60674 1/20 0.38
MAP4K4 O95819 1/20 0.38
ABL1 P00519 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
LYN P07948 1/20 0.38
RET P07949 1/20 0.38

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
SCHEMBL4042161 0.91 KIT (0.60) KITKDRMAP3K20PDGFRBFLT4
SCHEMBL4037476 0.90 KIT (0.56) KITKDRMAP3K20PDGFRBFLT4
SCHEMBL2202908 0.89 KDR (0.72) KITKDRMAP3K20PDGFRBFLT4
SCHEMBL4036311 0.89 KIT (0.60) KITKDRMAP3K20PDGFRBFLT4
SCHEMBL4037041 0.88 KDR (0.59) KITKDRMAP3K20PDGFRBFLT4
SCHEMBL4035661 0.85 KDR (0.80) KITKDRMAP3K20PDGFRBFLT4
SCHEMBL4035875 0.84 KDR (0.54) KITKDRMAP3K20PDGFRBFLT4
SCHEMBL4037197 0.83 KIT (0.54) KITKDRMAP3K20PDGFRBFLT4
SCHEMBL4037725 0.83 KIT (0.55) KITKDRMAP3K20PDGFRBFLT4
SCHEMBL4040249 0.81 KIT (0.53) KITKDRMAP3K20PDGFRBFLT4

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-1228063-B1 SUBSTITUTED PYRIDINES AND PYRIDAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY BAYER CORP (US) 2009-02-11 EP claimed