SCHEMBL7554499

SCHEMBL7554499

Clc1ccc(-c2cncc(-c3cn(CCN4CCOCC4)c4cccnc34)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.53
FLT1 P17948 3/20 0.53
FLT4 P35916 3/20 0.53
GSK3B P49841 3/20 0.46
SCN2A Q99250 1/20 0.43
SCN10A Q9Y5Y9 1/20 0.43
NFATC1 O95644 1/20 0.43
DYRK1A Q13627 1/20 0.43
MAPK14 Q16539 1/20 0.41
SLC2A1 P11166 3/20 0.40
SLC2A2 P11168 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
KCNH2 Q12809 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
SCHEMBL7555532 0.91 KDR (0.52) KDRFLT1FLT4GSK3BSCN2A
SCHEMBL7987209 0.91 KDR (0.58) KDRFLT1FLT4GSK3BNFATC1
SCHEMBL7987884 0.90 KDR (0.52) KDRFLT1FLT4GSK3BNFATC1
SCHEMBL7990494 0.88 KDR (0.51) KDRFLT1FLT4GSK3BNFATC1
SCHEMBL7987168 0.85 KDR (0.54) KDRFLT1FLT4GSK3BSCN2A
SCHEMBL7553729 0.85 KDR (0.40) KDRFLT1FLT4GSK3BSCN2A
SCHEMBL7548749 0.85 KDR (0.72) KDRFLT1FLT4GSK3BNFATC1
SCHEMBL7551949 0.85 KDR (0.55) KDRFLT1FLT4GSK3BNFATC1
SCHEMBL7990540 0.85 KDR (0.75) KDRFLT1FLT4GSK3BNFATC1
SCHEMBL7990426 0.83 KDR (0.54) KDRFLT1FLT4GSK3BSCN2A

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 4 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 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