SCHEMBL7549476

SCHEMBL7549476

COC(=O)c1cccc2c1c(-c1cncc(-c3ccsc3)c1)cn2CCCN1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.65
FLT1 P17948 5/20 0.65
FLT4 P35916 5/20 0.65
SMYD2 Q9NRG4 3/20 0.43
OPRK1 P41145 1/20 0.42
NR4A2 P43354 1/20 0.41
AXL P30530 1/20 0.39
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
GSK3B P49841 3/20 0.37
QPCT Q16769 3/20 0.37
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL7551621 0.95 KDR (0.64) KDRFLT1FLT4SMYD2OPRK1
SCHEMBL7553945 0.94 KDR (0.66) KDRFLT1FLT4SMYD2OPRK1
SCHEMBL7549576 0.89 KDR (0.51) KDRFLT1FLT4SMYD2KMT2A
SCHEMBL7513681 0.88 KDR (0.65) KDRFLT1FLT4OPRK1NR4A2
SCHEMBL7551275 0.87 KDR (0.47) KDRFLT1FLT4SMYD2KMT2A
SCHEMBL7555418 0.87 KDR (0.47) KDRFLT1FLT4SMYD2KMT2A
SCHEMBL7987672 0.86 KDR (0.47) KDRFLT1FLT4SMYD2
SCHEMBL7549814 0.86 FLT1 (0.47) KDRFLT1FLT4SMYD2KMT2A
SCHEMBL7514027 0.86 KDR (0.65) KDRFLT1FLT4OPRK1NR4A2
SCHEMBL7554304 0.84 KDR (0.54) KDRFLT1FLT4SMYD2NR4A2

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