SCHEMBL7554686

SCHEMBL7554686

Clc1ccc2c(-c3cncc(-c4ccccc4)c3)cn(CCCN3CCCCC3)c2c1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.63
FLT1 P17948 4/20 0.63
FLT4 P35916 4/20 0.63
GSK3B P49841 3/20 0.44
NFATC1 O95644 1/20 0.44
DYRK1A Q13627 1/20 0.44
TMEM97 Q5BJF2 3/20 0.41
PRKCB P05771 2/20 0.41
PRKCA P17252 2/20 0.41
PRKCE Q02156 1/20 0.41
SMYD2 Q9NRG4 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
QPCT Q16769 2/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL7555564 0.94 KDR (0.62) KDRFLT1FLT4GSK3BNFATC1
SCHEMBL7554305 0.94 KDR (0.60) KDRFLT1FLT4GSK3BNFATC1
SCHEMBL7550391 0.93 KDR (0.59) KDRFLT1FLT4GSK3BNFATC1
SCHEMBL7554690 0.92 KDR (0.63) KDRFLT1FLT4GSK3BNFATC1
SCHEMBL7553817 0.91 KDR (0.65) KDRFLT1FLT4GSK3BNFATC1
SCHEMBL7552691 0.89 KDR (0.72) KDRFLT1FLT4GSK3BNFATC1
SCHEMBL7550295 0.89 KDR (0.78) KDRFLT1FLT4GSK3BNFATC1
SCHEMBL7549168 0.88 KDR (0.54) KDRFLT1FLT4GSK3BNFATC1
SCHEMBL7552346 0.88 KDR (0.58) KDRFLT1FLT4GSK3BNFATC1
SCHEMBL7548808 0.87 KDR (0.54) KDRFLT1FLT4GSK3BHRH3

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