SCHEMBL7556397

SCHEMBL7556397

Clc1cccc(-c2cncc(-c3cn(CCCN4CCCCC4)c4ccccc34)c2)c1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.70
FLT1 P17948 3/20 0.70
FLT4 P35916 3/20 0.70
SMYD2 Q9NRG4 1/20 0.46
PRKCB P05771 2/20 0.44
PRKCA P17252 2/20 0.44
PRKCE Q02156 1/20 0.44
GSK3B P49841 5/20 0.43
QPCT Q16769 4/20 0.43
NFATC1 O95644 1/20 0.43
DYRK1A Q13627 1/20 0.43
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL7553508 0.94 KDR (0.69) KDRFLT1FLT4SMYD2DRD2
SCHEMBL7550391 0.92 KDR (0.59) KDRFLT1FLT4SMYD2GSK3B
SCHEMBL7550276 0.92 KDR (0.59) KDRFLT1FLT4SMYD2GSK3B
SCHEMBL7545638 0.91 KDR (0.72) KDRFLT1FLT4SMYD2PRKCB
SCHEMBL7552691 0.90 KDR (0.72) KDRFLT1FLT4SMYD2PRKCB
SCHEMBL7550295 0.90 KDR (0.78) KDRFLT1FLT4SMYD2PRKCB
SCHEMBL7554600 0.87 KDR (0.54) KDRFLT1FLT4SMYD2DRD2
SCHEMBL7554686 0.87 KDR (0.63) KDRFLT1FLT4SMYD2PRKCB
SCHEMBL7554690 0.87 KDR (0.63) KDRFLT1FLT4SMYD2PRKCB
SCHEMBL7552695 0.86 KDR (0.54) KDRFLT1FLT4SMYD2GSK3B

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