SCHEMBL7549809

SCHEMBL7549809

COc1ccc(-c2cncc(-c3cn(C(C)CN(C)C)c4ccc(OC)cc34)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.43
PDE4B Q07343 2/20 0.43
PDE4D Q08499 2/20 0.43
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
CYP11B1 P15538 9/20 0.39
CYP11B2 P19099 9/20 0.39
MAP4K4 O95819 1/20 0.38
ALPL P05186 1/20 0.37
CYP17A1 P05093 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
GSK3B P49841 1/20 0.35
QPCT Q16769 1/20 0.35
GRIK1 P39086 1/20 0.34
GRIK2 Q13002 1/20 0.34

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
SCHEMBL7987876 0.94 PDE4B (0.45) HTR6PDE4BPDE4DFLT1FLT4
SCHEMBL7555466 0.94 PDE4B (0.46) HTR6PDE4BPDE4DFLT1FLT4
SCHEMBL7550632 0.91 PDE4B (0.43) HTR6PDE4BPDE4DFLT1FLT4
SCHEMBL7550587 0.91 KDR (0.49) HTR6PDE4BPDE4DFLT1FLT4
SCHEMBL7991178 0.88 KDR (0.54) HTR6PDE4BPDE4DFLT1FLT4
SCHEMBL7990227 0.88 PDE4B (0.45) HTR6PDE4BPDE4DFLT1FLT4
SCHEMBL7990418 0.86 KDR (0.39) PDE4BPDE4DFLT1FLT4KDR
SCHEMBL7549222 0.84 KDR (0.40) HTR6FLT1FLT4KDRCYP11B1
SCHEMBL7505010 0.84 KDR (0.58) HTR6PDE4BPDE4DFLT1FLT4
SCHEMBL7976435 0.84 PRKCA (0.42) HTR6PDE4BPDE4DFLT1FLT4

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