SCHEMBL7548808

SCHEMBL7548808

COc1cccc(-c2cncc(-c3cn(CCCN4CCCCC4)c4cc(Cl)ccc34)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.54
FLT1 P17948 2/20 0.54
FLT4 P35916 2/20 0.54
GSK3B P49841 1/20 0.41
QPCT Q16769 1/20 0.41
HRH3 Q9Y5N1 5/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
AVPR1B P47901 1/20 0.40
KCNH2 Q12809 1/20 0.39

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
SCHEMBL7551215 0.95 KDR (0.52) KDRFLT1FLT4HRH3
SCHEMBL7552517 0.93 KDR (0.56) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7553514 0.93 KDR (0.54) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7549168 0.90 KDR (0.54) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7550391 0.90 KDR (0.59) KDRFLT1FLT4GSK3BHRH3
SCHEMBL7549925 0.89 KDR (0.67) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7549728 0.88 KDR (0.54) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7550599 0.88 KDR (0.52) KDRFLT1FLT4GSK3BHRH3
SCHEMBL7558444 0.88 KDR (0.57) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7554686 0.87 KDR (0.63) KDRFLT1FLT4GSK3BQPCT

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