SCHEMBL7555221

SCHEMBL7555221

COc1ccc(-c2cncc(-c3cn(CCN4CCCCC4)c4ccccc34)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.68
FLT1 P17948 3/20 0.60
FLT4 P35916 3/20 0.60
FLT3 P36888 1/20 0.51
GSK3B P49841 7/20 0.46
QPCT Q16769 7/20 0.46
MKNK2 Q9HBH9 1/20 0.44
ACP1 P24666 1/20 0.43

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
SCHEMBL7554266 0.94 KDR (0.69) KDRFLT1FLT4FLT3GSK3B
SCHEMBL7990662 0.91 KDR (0.68) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7549155 0.91 KDR (0.56) KDRFLT1FLT4FLT3GSK3B
SCHEMBL7554226 0.90 KDR (0.66) KDRFLT1FLT4FLT3GSK3B
SCHEMBL7550504 0.89 KDR (0.59) KDRFLT1FLT4FLT3ACP1
SCHEMBL7550153 0.88 KDR (0.77) KDRFLT1FLT4FLT3
SCHEMBL7553144 0.87 KDR (0.52) KDRFLT1FLT4FLT3
SCHEMBL7554609 0.87 KDR (0.52) KDRFLT1FLT4FLT3GSK3B
SCHEMBL7551441 0.87 KDR (0.71) KDRFLT1FLT4FLT3GSK3B
SCHEMBL7502733 0.86 KDR (0.72) 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