SCHEMBL7546769

SCHEMBL7546769

COc1cccc2c(-c3cncc(-c4cccc(Cl)c4)c3)cn(CC(C)CN(C)C)c12

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.51
FLT1 P17948 1/20 0.51
FLT4 P35916 1/20 0.51
CNR2 P34972 2/20 0.37
PDE4B Q07343 3/20 0.34
GRIN2B Q13224 2/20 0.34
FYN P06241 1/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
PDE4D Q08499 1/20 0.33
MAPK10 P53779 1/20 0.32
HTR6 P50406 2/20 0.32
RIPK2 O43353 1/20 0.32
LYN P07948 1/20 0.32
KMT2A Q03164 1/20 0.32
DPP4 P27487 1/20 0.32
ALPL P05186 1/20 0.32

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
SCHEMBL7504851 0.92 KDR (0.51) KDRFLT1FLT4CNR2HTR6
SCHEMBL7990694 0.91 KDR (0.56) KDRFLT1FLT4CNR2HCRTR1
SCHEMBL7547229 0.90 KDR (0.51) KDRFLT1FLT4CNR2FYN
SCHEMBL7545417 0.87 KDR (0.52) KDRFLT1FLT4CNR2HTR6
SCHEMBL7990118 0.87 KDR (0.39) KDRFLT1FLT4CNR2PDE4B
SCHEMBL7990474 0.85 KDR (0.71) KDRFLT1FLT4CNR2ALPL
SCHEMBL7994231 0.84 KDR (0.70) KDRFLT1FLT4GRIN2B
SCHEMBL7994193 0.84 KDR (0.49) KDRFLT1FLT4CNR2PDE4B
SCHEMBL7504838 0.83 KDR (0.54) KDRFLT1FLT4PDE4BGRIN2B
SCHEMBL7508525 0.82 KDR (0.59) KDRFLT1FLT4GRIN2BHTR6

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