SCHEMBL7546871

SCHEMBL7546871

COc1ccc(-c2cncc(-c3cn(CCCN4CCN(C)CC4)c4cc(Cl)ccc34)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.56
FLT1 P17948 3/20 0.56
FLT4 P35916 3/20 0.56
MAP3K11 Q16584 1/20 0.42
GSK3B P49841 6/20 0.41
QPCT Q16769 4/20 0.41
NFATC1 O95644 1/20 0.41
DYRK1A Q13627 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HRH4 Q9H3N8 1/20 0.39
CHKA P35790 1/20 0.39
CXCR1 P25024 1/20 0.38
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38

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
SCHEMBL7549168 0.93 KDR (0.54) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7549918 0.93 KDR (0.56) KDRFLT1FLT4MAP3K11GSK3B
SCHEMBL7513861 0.93 KDR (0.61) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7552517 0.90 KDR (0.56) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7548992 0.89 KDR (0.56) KDRFLT1FLT4MAP3K11GSK3B
SCHEMBL7553817 0.89 KDR (0.65) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7502733 0.88 KDR (0.72) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7553144 0.87 KDR (0.52) KDRFLT1FLT4TDP1
SCHEMBL7551223 0.87 KDR (0.59) KDRFLT1FLT4MAP3K11GSK3B
SCHEMBL7988266 0.86 KDR (0.53) KDRFLT1FLT4GSK3BNFATC1

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