SCHEMBL7555413

SCHEMBL7555413

CC(CN(C)C)Cn1cc(-c2cncc(-c3cccc(Cl)c3)c2)c2ncccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.52
FLT1 P17948 1/20 0.52
FLT4 P35916 1/20 0.52
GRIN2B Q13224 7/20 0.39
GRIN1 Q05586 4/20 0.36
PDE4A P27815 2/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
HTR6 P50406 1/20 0.34
STK4 Q13043 1/20 0.34
STK3 Q13188 1/20 0.34
LRRK2 Q5S007 1/20 0.34
PRKACA P17612 1/20 0.34
PRKACG P22612 1/20 0.34
PRKACB P22694 1/20 0.34
LMNA P02545 1/20 0.33
KCNA5 P22460 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
SCHEMBL7551380 0.91 KDR (0.54) KDRFLT1FLT4PDE4AHTR6
SCHEMBL7986720 0.89 KDR (0.59) KDRFLT1FLT4GRIN2BHTR6
SCHEMBL7547036 0.87 FLT1 (0.51) KDRFLT1FLT4GRIN2BGRIN1
SCHEMBL7994231 0.86 KDR (0.70) KDRFLT1FLT4GRIN2BGRIN1
SCHEMBL7504511 0.85 KDR (0.54) KDRFLT1FLT4GRIN2BGRIN1
SCHEMBL7508525 0.84 KDR (0.59) KDRFLT1FLT4GRIN2BGRIN1
SCHEMBL7513664 0.84 KDR (0.59) KDRFLT1FLT4GRIN2BGRIN1
SCHEMBL7549028 0.83 KDR (0.52) KDRFLT1FLT4PDE4APDE4B
SCHEMBL7976803 0.83 KDR (0.75) KDRFLT1FLT4PRKACAPRKACG
SCHEMBL7976532 0.83 KDR (0.51) KDRFLT1FLT4GRIN2BGRIN1

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