SCHEMBL7551265

SCHEMBL7551265

COc1cccc(-c2cncc(-c3cn(CCCN4CCCCC4)c4cccc(Cl)c34)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.50
FLT1 P17948 2/20 0.50
FLT4 P35916 2/20 0.50
HRH3 Q9Y5N1 8/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
GSK3B P49841 1/20 0.40
QPCT Q16769 1/20 0.40
KCNH2 Q12809 1/20 0.39
BACE1 P56817 1/20 0.39
AVPR1B P47901 1/20 0.38

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
SCHEMBL7549957 0.95 KDR (0.49) KDRFLT1FLT4HRH3KDM4E
SCHEMBL7549584 0.93 KDR (0.52) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7548335 0.92 KDR (0.51) KDRFLT1FLT4HRH3KDM4E
SCHEMBL7554600 0.88 KDR (0.54) KDRFLT1FLT4HRH3AVPR1B
SCHEMBL7549411 0.88 KDR (0.58) KDRFLT1FLT4HRH3GSK3B
SCHEMBL7553606 0.87 KDR (0.49) KDRFLT1FLT4ALDH1A1GSK3B
SCHEMBL7549925 0.86 KDR (0.67) KDRFLT1FLT4HRH3GSK3B
SCHEMBL7549070 0.86 KDR (0.49) KDRFLT1FLT4KMT2A
SCHEMBL7549814 0.86 FLT1 (0.47) KDRFLT1FLT4HRH3KDM4E
SCHEMBL7555272 0.85 KDR (0.55) KDRFLT1FLT4HRH3GSK3B

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