SCHEMBL4666863

SCHEMBL4666863

CCC(C)(C)NC(=O)C1(C(=O)Nc2ccc(Oc3ccnc(NC(=O)N(C)C4CCN(C)CC4)c3)cc2F)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.54
MET P08581 4/20 0.54
MAPK14 Q16539 3/20 0.54
NTRK1 P04629 2/20 0.54
EPHB6 O15197 1/20 0.54
RIPK2 O43353 1/20 0.54
ABL1 P00519 1/20 0.54
LCK P06239 1/20 0.54
LYN P07948 1/20 0.54
RET P07949 1/20 0.54
HCK P08631 1/20 0.54
PDGFRB P09619 1/20 0.54
BCR P11274 1/20 0.54
EPHA2 P29317 1/20 0.54
EPHB2 P29323 1/20 0.54
FLT3 P36888 1/20 0.54
ABL2 P42684 1/20 0.54
FRK P42685 1/20 0.54
LIMK1 P53667 1/20 0.54
EPHB3 P54753 1/20 0.54

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
SCHEMBL3556039 0.90 KDR (0.64) KDRMETMAPK14NTRK1EPHB6
SCHEMBL3558737 0.89 KDR (0.55) KDRMETMAPK14NTRK1EPHB6
SCHEMBL3553760 0.89 KDR (0.58) KDRMETMAPK14NTRK1EPHB6
SCHEMBL3554136 0.88 KDR (0.58) KDRMETMAPK14NTRK1EPHB6
SCHEMBL3554572 0.88 KDR (0.58) KDRMETMAPK14NTRK1EPHB6
SCHEMBL2253552 0.87 KDR (0.63) KDRMETMAPK14NTRK1EPHB6
SCHEMBL2256819 0.87 MET (0.71) KDRMETMAPK14NTRK1EPHB6
SCHEMBL3557676 0.86 KDR (0.56) KDRMETMAPK14NTRK1EPHB6
SCHEMBL3552883 0.85 KDR (0.54) KDRMETMAPK14NTRK1EPHB6
SCHEMBL2248682 0.85 KDR (0.57) KDRMETMAPK14NTRK1EPHB6

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-1889836-A1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (3) Eisai R&D Management Co., Ltd. (JP) 2008-02-20 EP disclosed