SCHEMBL7555484

SCHEMBL7555484

N#Cc1ccc2c(c1)c(-c1cncc(-c3ccccc3)c1)cn2CCN1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.59
FLT1 P17948 3/20 0.52
FLT4 P35916 3/20 0.52
SCN7A Q01118 1/20 0.40
CNR2 P34972 1/20 0.40
HRH3 Q9Y5N1 3/20 0.37
SIGMAR1 Q99720 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
ABL1 P00519 1/20 0.36
PIP5K1A Q99755 1/20 0.36
SMYD2 Q9NRG4 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
FLT3 P36888 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
SCHEMBL7547180 0.94 KDR (0.60) KDRFLT1FLT4HRH3SMYD2
SCHEMBL7513759 0.91 KDR (0.59) KDRFLT1FLT4CNR2HRH3
SCHEMBL7976563 0.90 KDR (0.52) KDRFLT1FLT4SCN7AHRH3
SCHEMBL7987947 0.90 KDR (0.52) KDRFLT1FLT4SCN7AHRH3
SCHEMBL7987153 0.88 KDR (0.50) KDRFLT1FLT4SCN7AHRH3
SCHEMBL7504415 0.88 KDR (0.50) KDRFLT1FLT4FLT3
SCHEMBL7555658 0.87 KDR (0.73) KDRFLT1FLT4SCN7ASIGMAR1
SCHEMBL7553821 0.86 KDR (0.61) KDRFLT1FLT4
SCHEMBL7550153 0.85 KDR (0.77) KDRFLT1FLT4CNR2SMYD2
SCHEMBL7548699 0.85 KDR (0.54) KDRFLT1FLT4SCN7AHRH3

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