SCHEMBL4543040

SCHEMBL4543040

CN(C)C1CCN(C(=O)Nc2cc(Oc3ccc(N(C(=O)C4(C(N)=O)CC4)c4ccc(F)cc4)c(F)c3)ccn2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.48
MET P08581 5/20 0.48
MAPK14 Q16539 3/20 0.48
NTRK1 P04629 2/20 0.48
ABL1 P00519 2/20 0.48
EPHB6 O15197 1/20 0.48
RIPK2 O43353 1/20 0.48
LCK P06239 1/20 0.48
LYN P07948 1/20 0.48
RET P07949 1/20 0.48
HCK P08631 1/20 0.48
PDGFRB P09619 1/20 0.48
BCR P11274 1/20 0.48
EPHA2 P29317 1/20 0.48
EPHB2 P29323 1/20 0.48
FLT3 P36888 1/20 0.48
ABL2 P42684 1/20 0.48
FRK P42685 1/20 0.48
LIMK1 P53667 1/20 0.48
EPHB3 P54753 1/20 0.48

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
SCHEMBL2252983 1.00 KDR (0.48) KDRMETMAPK14NTRK1ABL1
SCHEMBL2249560 1.00 KDR (0.48) KDRMETMAPK14NTRK1ABL1
SCHEMBL2255067 0.96 KDR (0.46) KDRMETMAPK14NTRK1ABL1
SCHEMBL2254742 0.96 KDR (0.51) KDRMETMAPK14NTRK1ABL1
SCHEMBL2250948 0.95 KDR (0.46) KDRMETMAPK14NTRK1ABL1
SCHEMBL3551082 0.94 KDR (0.44) KDRMETMAPK14NTRK1ABL1
SCHEMBL3552505 0.94 KDR (0.44) KDRMETMAPK14NTRK1ABL1
SCHEMBL3558389 0.94 KDR (0.48) KDRMETMAPK14NTRK1ABL1
SCHEMBL3553004 0.94 KDR (0.48) KDRMETMAPK14NTRK1ABL1
SCHEMBL2250429 0.93 MET (0.55) KDRMETMAPK14NTRK1ABL1

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-2119706-A1 PYRIDINE OR PYRIMIDINE DERIVATIVE HAVING EXCELLENT CELL GROWTH INHIBITION EFFECT AND EXCELLENT ANTI-TUMOR EFFECT ON CELL STRAIN HAVING AMPLIFICATION OF HGFR GENE Eisai R&D Management Co., Ltd. (JP) 2009-11-18 EP disclosed