SCHEMBL7555037

SCHEMBL7555037

COc1cccc(-c2cncc(-c3cn(CCCN4CCN(C)CC4)c4ccc(Cl)cc34)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.56
FLT1 P17948 3/20 0.56
FLT4 P35916 3/20 0.56
GSK3B P49841 4/20 0.42
PRKCA P17252 1/20 0.42
QPCT Q16769 2/20 0.41
KCNH2 Q12809 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
BMP4 P12644 1/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
ICMT O60725 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
SCHEMBL7550509 0.93 KDR (0.56) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7552517 0.93 KDR (0.56) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7553514 0.93 KDR (0.54) KDRFLT1FLT4GSK3BPRKCA
SCHEMBL7551662 0.93 KDR (0.59) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7556474 0.91 KDR (0.61) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7549918 0.90 KDR (0.56) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7990388 0.89 KDR (0.69) KDRFLT1FLT4GSK3BPRKCA
SCHEMBL7548992 0.89 KDR (0.56) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7554192 0.88 KDR (0.65) KDRFLT1FLT4GSK3BPRKCA
SCHEMBL7550599 0.88 KDR (0.52) KDRFLT1FLT4GSK3BPRKCA

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