SCHEMBL7551283

SCHEMBL7551283

COC(=O)c1cccc2c1c(-c1cncc(-c3ccc(Cl)cc3)c1)cn2CCCN1CCN(C)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.49
FLT1 P17948 2/20 0.49
FLT4 P35916 2/20 0.49
SMYD2 Q9NRG4 3/20 0.39
GSK3B P49841 3/20 0.39
QPCT Q16769 2/20 0.39
BCL2 P10415 1/20 0.38
FGFR1 P11362 1/20 0.37
TNIK Q9UKE5 1/20 0.37
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CYP11B2 P19099 1/20 0.36
CACNA1G O43497 1/20 0.36
TP53 P04637 1/20 0.36
NR3C1 P04150 1/20 0.36
AIMP2 Q13155 1/20 0.36

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
SCHEMBL7555418 0.93 KDR (0.47) KDRFLT1FLT4SMYD2GSK3B
SCHEMBL7547530 0.93 KDR (0.49) KDRFLT1FLT4SMYD2GSK3B
SCHEMBL7554304 0.93 KDR (0.54) KDRFLT1FLT4SMYD2GSK3B
SCHEMBL7546940 0.92 KDR (0.49) KDRFLT1FLT4SMYD2GSK3B
SCHEMBL7987156 0.88 KDR (0.46) KDRFLT1FLT4SMYD2SLC6A4
SCHEMBL7550186 0.88 KDR (0.49) KDRFLT1FLT4SMYD2GSK3B
SCHEMBL7553945 0.88 KDR (0.66) KDRFLT1FLT4SMYD2GSK3B
SCHEMBL7991040 0.88 FLT1 (0.47) KDRFLT1FLT4TP53NR3C1
SCHEMBL7987672 0.86 KDR (0.47) KDRFLT1FLT4SMYD2
SCHEMBL7549576 0.86 KDR (0.51) KDRFLT1FLT4SMYD2GSK3B

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