SCHEMBL7548335

SCHEMBL7548335

COc1ccc(-c2cncc(-c3cn(CCCN4CCCCC4)c4cccc(Cl)c34)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.51
FLT1 P17948 2/20 0.51
FLT4 P35916 2/20 0.51
GSK3B P49841 6/20 0.41
QPCT Q16769 6/20 0.41
MAOB P27338 1/20 0.39
HRH3 Q9Y5N1 2/20 0.38
HTR3A P46098 2/20 0.38
KCNH2 Q12809 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
ACP1 P24666 1/20 0.38
ACHE P22303 1/20 0.38
CHRNB1 P11230 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNB3 Q05901 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
SCHEMBL7549070 0.95 KDR (0.49) KDRFLT1FLT4MAOBKMT2A
SCHEMBL7551474 0.93 KDR (0.53) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7551265 0.92 KDR (0.50) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7555272 0.90 KDR (0.55) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7549411 0.89 KDR (0.58) KDRFLT1FLT4GSK3BHRH3
SCHEMBL7994332 0.86 KDR (0.50) KDRFLT1FLT4GSK3BMAOB
SCHEMBL7549957 0.86 KDR (0.49) KDRFLT1FLT4HRH3KDM4E
SCHEMBL7551275 0.85 KDR (0.47) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7554600 0.85 KDR (0.54) KDRFLT1FLT4HRH3
SCHEMBL7554266 0.85 KDR (0.69) 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