SCHEMBL7556233

SCHEMBL7556233

COc1ccc2c(c1)c(-c1cncc(-c3ccc(Cl)cc3)c1)cn2CCCN1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.54
FLT1 P17948 2/20 0.54
FLT4 P35916 2/20 0.54
GSK3B P49841 10/20 0.44
QPCT Q16769 10/20 0.44
ESR1 P03372 3/20 0.41
TDP1 Q9NUW8 1/20 0.40
USP14 P54578 1/20 0.40

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
SCHEMBL7557189 0.94 KDR (0.54) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7554276 0.94 KDR (0.52) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7551493 0.94 KDR (0.57) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7548992 0.93 KDR (0.56) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7548026 0.91 KDR (0.60) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7549728 0.90 KDR (0.54) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7551629 0.90 KDR (0.60) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7549168 0.89 KDR (0.54) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7554609 0.89 KDR (0.52) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7549155 0.89 KDR (0.56) 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