SCHEMBL7509366

SCHEMBL7509366

N#CC1CCN(CCn2cc(-c3cncc(-c4ccccc4)c3)c3cc(Cl)ccc32)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.47
FLT1 P17948 3/20 0.46
FLT4 P35916 3/20 0.46
ACLY P53396 1/20 0.35
KCNH2 Q12809 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
LTA4H P09960 1/20 0.34
CHEK1 O14757 1/20 0.34
ACHE P22303 1/20 0.34
KRAS P01116 2/20 0.33
USP30 Q70CQ3 1/20 0.33
NFATC1 O95644 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33

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
SCHEMBL7550682 0.94 KDR (0.44) KDRFLT1FLT4EGLN1CHEK1
SCHEMBL7548831 0.94 KDR (0.44) KDRFLT1FLT4NFATC1GSK3B
SCHEMBL7550379 0.93 KDR (0.47) KDRFLT1FLT4EGLN1LTA4H
SCHEMBL7557245 0.90 KDR (0.54) KDRFLT1FLT4CHEK1ACHE
SCHEMBL7549926 0.90 KDR (0.57) KDRFLT1FLT4EGLN1NFATC1
SCHEMBL7545884 0.89 KDR (0.40) KDRFLT1FLT4EGLN1CHEK1
SCHEMBL7547917 0.88 KDR (0.40) KDRFLT1FLT4GSK3B
SCHEMBL7555006 0.88 KDR (0.52) KDRFLT1FLT4NFATC1GSK3B
SCHEMBL7976915 0.88 KDR (0.59) KDRFLT1FLT4KRASNFATC1
SCHEMBL7551299 0.87 KDR (0.44) KDRFLT1FLT4EGLN1CHEK1

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