SCHEMBL7548749

SCHEMBL7548749

Clc1ccc(-c2cncc(-c3cn(CCN4CCOCC4)c4ccccc34)c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.72
FLT1 P17948 3/20 0.72
FLT4 P35916 3/20 0.72
GSK3B P49841 3/20 0.50
NFATC1 O95644 1/20 0.50
DYRK1A Q13627 1/20 0.50
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47

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
SCHEMBL7502516 0.91 KDR (0.77) KDRFLT1FLT4GSK3BNFATC1
SCHEMBL7551441 0.91 KDR (0.71) KDRFLT1FLT4GSK3BCNR1
SCHEMBL7976570 0.91 KDR (0.59) KDRFLT1FLT4GSK3BNFATC1
SCHEMBL7986743 0.91 KDR (0.59) KDRFLT1FLT4GSK3BNFATC1
SCHEMBL7987083 0.90 KDR (0.69) KDRFLT1FLT4GSK3BNFATC1
SCHEMBL7991008 0.89 KDR (0.62) KDRFLT1FLT4GSK3BNFATC1
SCHEMBL7986691 0.89 KDR (0.62) KDRFLT1FLT4GSK3BNFATC1
SCHEMBL7990662 0.87 KDR (0.68) KDRFLT1FLT4GSK3BNFATC1
SCHEMBL7990426 0.86 KDR (0.54) KDRFLT1FLT4GSK3BNFATC1
SCHEMBL7554499 0.85 KDR (0.53) KDRFLT1FLT4GSK3BNFATC1

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