SCHEMBL7550206

SCHEMBL7550206

CN1CCN(CCCn2cc(-c3cncc(-c4ccc(Cl)cc4)c3)c3ccccc32)CC1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.74
FLT1 P17948 4/20 0.74
FLT4 P35916 4/20 0.74
GSK3B P49841 4/20 0.47
QPCT Q16769 2/20 0.47
PRKCB P05771 1/20 0.46
PRKCA P17252 1/20 0.46
NFATC1 O95644 1/20 0.44
DYRK1A Q13627 1/20 0.44
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2A P28223 1/20 0.43
SLC6A4 P31645 1/20 0.43
DRD3 P35462 1/20 0.43
SLC6A3 Q01959 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
SCHEMBL7553410 0.92 KDR (0.80) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7548886 0.91 KDR (0.61) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7552691 0.91 KDR (0.72) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7513861 0.91 KDR (0.61) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7545638 0.90 KDR (0.72) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7553817 0.89 KDR (0.65) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7554192 0.89 KDR (0.65) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7502733 0.88 KDR (0.72) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7550729 0.86 KDR (0.56) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7548992 0.86 KDR (0.56) KDRFLT1FLT4GSK3BQPCT

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