SCHEMBL7550276

SCHEMBL7550276

Clc1cccc(-c2cncc(-c3cn(CCCN4CCCCC4)c4ccc(Cl)cc34)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.59
FLT1 P17948 3/20 0.59
FLT4 P35916 3/20 0.59
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
HRH3 Q9Y5N1 5/20 0.41
NFATC1 O95644 1/20 0.41
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
SMYD2 Q9NRG4 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
ICMT O60725 1/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39

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
SCHEMBL7551512 0.94 KDR (0.58) KDRFLT1FLT4DRD2HRH3
SCHEMBL7554690 0.93 KDR (0.63) KDRFLT1FLT4DRD2DRD3
SCHEMBL7556397 0.92 KDR (0.70) KDRFLT1FLT4DRD2DRD3
SCHEMBL7550391 0.92 KDR (0.59) KDRFLT1FLT4DRD2DRD3
SCHEMBL7556474 0.91 KDR (0.61) KDRFLT1FLT4HRH3NFATC1
SCHEMBL7551629 0.91 KDR (0.60) KDRFLT1FLT4DRD2DRD3
SCHEMBL7553514 0.90 KDR (0.54) KDRFLT1FLT4HRH3GSK3B
SCHEMBL7552695 0.90 KDR (0.54) KDRFLT1FLT4DRD2DRD3
SCHEMBL7549728 0.90 KDR (0.54) KDRFLT1FLT4HRH3GSK3B
SCHEMBL7555743 0.87 KDR (0.62) KDRFLT1FLT4GRIN1GRIN2B

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