SCHEMBL7990841

SCHEMBL7990841

CN1CCN(CCCn2cc(-c3cncc(-c4cccc(Cl)c4)c3)c3ncccc32)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.54
FLT1 P17948 4/20 0.54
FLT4 P35916 4/20 0.54
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
CXCR1 P25024 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GSK3B P49841 2/20 0.38
AXL P30530 1/20 0.38
DRD2 P14416 2/20 0.37
HSPA9 P38646 2/20 0.37
HTR6 P50406 1/20 0.37
BMP4 P12644 1/20 0.37
NFATC1 O95644 1/20 0.37

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
SCHEMBL7551303 0.92 KDR (0.52) KDRFLT1FLT4MAPK13MAPK12
SCHEMBL7551949 0.91 KDR (0.55) KDRFLT1FLT4HRH2HRH1
SCHEMBL7547227 0.90 KDR (0.60) KDRFLT1FLT4GSK3BNFATC1
SCHEMBL7550710 0.88 KDR (0.52) KDRFLT1FLT4GSK3BDRD2
SCHEMBL7545638 0.86 KDR (0.72) KDRFLT1FLT4GSK3BNFATC1
SCHEMBL7988086 0.86 KDR (0.51) KDRFLT1FLT4MAPK14HRH3
SCHEMBL7987884 0.85 KDR (0.52) KDRFLT1FLT4MAPK13MAPK12
SCHEMBL7548789 0.85 KDR (0.55) KDRFLT1FLT4MAPK13MAPK12
SCHEMBL7549006 0.84 KDR (0.75) KDRFLT1FLT4GSK3BDRD2
SCHEMBL7556474 0.84 KDR (0.61) KDRFLT1FLT4MAPK13MAPK12

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
US-6265403-B1 TYROSINE INHIBITORS MERCK & CO., INC. 2001-07-24 US disclosed