SCHEMBL7548992

SCHEMBL7548992

COc1ccc2c(c1)c(-c1cncc(-c3ccc(Cl)cc3)c1)cn2CCCN1CCN(C)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.56
FLT1 P17948 3/20 0.56
FLT4 P35916 3/20 0.56
GSK3B P49841 10/20 0.44
QPCT Q16769 9/20 0.44
CXCR1 P25024 1/20 0.40
MAP3K11 Q16584 1/20 0.40
MAP4K1 Q92918 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL7549918 0.94 KDR (0.56) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7551223 0.94 KDR (0.59) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7556233 0.93 KDR (0.54) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7552760 0.91 KDR (0.62) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7548886 0.91 KDR (0.61) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7550509 0.90 KDR (0.56) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7546871 0.89 KDR (0.56) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7555037 0.89 KDR (0.56) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7551662 0.88 KDR (0.59) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7557189 0.87 KDR (0.54) 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