SCHEMBL7550153

SCHEMBL7550153

c1ccc(-c2cncc(-c3cn(CCN4CCCCC4)c4ccccc34)c2)cc1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.77
FLT1 P17948 4/20 0.68
FLT4 P35916 4/20 0.68
FLT3 P36888 1/20 0.47
CNR2 P34972 3/20 0.44
CNR1 P21554 2/20 0.44
PRKCB P05771 1/20 0.43
PRKCA P17252 1/20 0.43
PRKCE Q02156 1/20 0.43
SMYD2 Q9NRG4 1/20 0.43

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
SCHEMBL7550295 0.93 KDR (0.78) KDRFLT1FLT4PRKCBPRKCA
SCHEMBL7551441 0.91 KDR (0.71) KDRFLT1FLT4FLT3CNR2
SCHEMBL7502516 0.90 KDR (0.77) KDRFLT1FLT4CNR2CNR1
SCHEMBL7553508 0.89 KDR (0.69) KDRFLT1FLT4FLT3CNR2
SCHEMBL7555221 0.88 KDR (0.68) KDRFLT1FLT4FLT3
SCHEMBL7555564 0.88 KDR (0.62) KDRFLT1FLT4FLT3CNR2
SCHEMBL7555743 0.88 KDR (0.62) KDRFLT1FLT4FLT3
SCHEMBL7556531 0.87 KDR (1.00) KDRFLT1FLT4FLT3CNR2
SCHEMBL7549908 0.87 KDR (1.00) KDRFLT1FLT4FLT3CNR2
SCHEMBL7554226 0.87 KDR (0.66) KDRFLT1FLT4FLT3

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