SCHEMBL7547036

SCHEMBL7547036

COc1cccc(-c2cncc(-c3cn(CC(C)CN(C)C)c4cccnc34)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 1/20 0.51
FLT4 P35916 1/20 0.51
KDR P35968 1/20 0.51
MAOB P27338 1/20 0.38
PDE4A P27815 3/20 0.38
PDE4B Q07343 3/20 0.38
PDE4C Q08493 3/20 0.38
PDE4D Q08499 3/20 0.38
TOP1 P11387 1/20 0.36
MAPK1 P28482 2/20 0.36
NTRK1 P04629 1/20 0.36
BACE1 P56817 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
KCNA5 P22460 1/20 0.36
NR1D1 P20393 1/20 0.35
DYRK1A Q13627 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
NPY5R Q15761 1/20 0.35
LMNA P02545 2/20 0.35

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
SCHEMBL7549028 0.91 KDR (0.52) FLT1FLT4KDRMAOBPDE4A
SCHEMBL7986720 0.88 KDR (0.59) FLT1FLT4KDRGRIN2BNR1D1
SCHEMBL7555413 0.87 KDR (0.52) FLT1FLT4KDRPDE4APDE4B
SCHEMBL7547790 0.86 KDR (0.68) FLT1FLT4KDRMAPK1NR1D1
SCHEMBL7507277 0.84 KDR (0.58) FLT1FLT4KDRPDE4BPDE4D
SCHEMBL7552915 0.84 KDR (0.51) FLT1FLT4KDRMAPK1NR1D1
SCHEMBL7547677 0.84 KDR (0.49) KDRMAOBPDE4APDE4BPDE4C
SCHEMBL7551380 0.83 KDR (0.54) FLT1FLT4KDRPDE4ADYRK1A
SCHEMBL7976803 0.82 KDR (0.75) FLT1FLT4KDRMAOBDYRK1A
SCHEMBL7505482 0.81 KDR (0.54) FLT1FLT4KDRMAPK1NTRK1

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