SCHEMBL7988086

SCHEMBL7988086

Clc1cccc(-c2cncc(-c3cn(CCN4CCCCC4)c4cccnc34)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.51
FLT1 P17948 3/20 0.45
FLT4 P35916 3/20 0.45
GRIN2B Q13224 3/20 0.43
GRIN1 Q05586 1/20 0.43
HTR6 P50406 2/20 0.42
DRD2 P14416 1/20 0.39
HRH3 Q9Y5N1 5/20 0.38
MAPK14 Q16539 1/20 0.38
RPS6KB1 P23443 1/20 0.37
AKT1 P31749 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 0.94 KDR (0.52) KDRFLT1FLT4GRIN2BGRIN1
SCHEMBL7987884 0.91 KDR (0.52) KDRFLT1FLT4GRIN2BGRIN1
SCHEMBL7555532 0.90 KDR (0.52) KDRFLT1FLT4HTR6MAPK14
SCHEMBL7548593 0.89 KDR (0.57) KDRFLT1FLT4GRIN2BGRIN1
SCHEMBL7553655 0.87 KDR (0.39) KDRFLT1FLT4GRIN2BGRIN1
SCHEMBL7990841 0.86 KDR (0.54) KDRFLT1FLT4HTR6DRD2
SCHEMBL7551471 0.86 KDR (0.49) KDRFLT1FLT4DRD2HRH3
SCHEMBL7553508 0.85 KDR (0.69) KDRFLT1FLT4GRIN2BGRIN1
SCHEMBL7987168 0.85 KDR (0.54) KDRFLT1FLT4MAPK14
SCHEMBL7548475 0.84 KDR (0.52) KDRFLT1FLT4GRIN2BGRIN1

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