SCHEMBL7548593

SCHEMBL7548593

c1ccc(-c2cncc(-c3cn(CCN4CCCCC4)c4cccnc34)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.57
FLT1 P17948 4/20 0.51
FLT4 P35916 4/20 0.51
GRIN1 Q05586 2/20 0.41
GRIN2B Q13224 2/20 0.41
BACE1 P56817 1/20 0.40
MAPK14 Q16539 2/20 0.40
GSK3B P49841 1/20 0.40
LTA4H P09960 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CHRNA7 P36544 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
SCHEMBL7556924 0.94 KDR (0.59) KDRFLT1FLT4GSK3BHRH3
SCHEMBL7555532 0.91 KDR (0.52) KDRFLT1FLT4MAPK14GSK3B
SCHEMBL7987209 0.91 KDR (0.58) KDRFLT1FLT4MAPK14GSK3B
SCHEMBL7988086 0.89 KDR (0.51) KDRFLT1FLT4GRIN1GRIN2B
SCHEMBL7986847 0.88 KDR (0.50) KDRFLT1FLT4MAPK14SIGMAR1
SCHEMBL7993940 0.87 KDR (0.74) KDRFLT1FLT4MAPK14GSK3B
SCHEMBL7551471 0.86 KDR (0.49) KDRFLT1FLT4BACE1LTA4H
SCHEMBL7548014 0.85 KDR (0.43) KDRFLT1FLT4GRIN1GRIN2B
SCHEMBL7987168 0.85 KDR (0.54) KDRFLT1FLT4MAPK14GSK3B
SCHEMBL7547227 0.85 KDR (0.60) KDRFLT1FLT4GSK3B

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147107-A4 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO INC (US) 2002-05-22 EP claimed
EP-1147107-A1 NOVEL ANGIOGENESIS INHIBITORS Merck & Co., Inc. (US) 2001-10-24 EP claimed
WO-2000043393-A1 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO., INC. (US) 2000-07-27 WO claimed
EP-1147107-A4 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO INC (US) 2002-05-22 EP disclosed
EP-1147107-A1 NOVEL ANGIOGENESIS INHIBITORS Merck & Co., Inc. (US) 2001-10-24 EP disclosed
US-6265403-B1 TYROSINE INHIBITORS MERCK & CO., INC. 2001-07-24 US disclosed
WO-2000043393-A1 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO., INC. (US) 2000-07-27 WO disclosed