SCHEMBL7550186

SCHEMBL7550186

COC(=O)c1cccc2c1c(-c1cncc(-c3cccc(OC)c3)c1)cn2CCCN1CCN(C)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.49
FLT1 P17948 2/20 0.49
FLT4 P35916 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.40
GSK3B P49841 4/20 0.40
QPCT Q16769 3/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
KMT2A Q03164 2/20 0.39
MCL1 Q07820 1/20 0.39
BAD Q92934 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
BMP4 P12644 1/20 0.39
KCNH2 Q12809 1/20 0.39
SMYD2 Q9NRG4 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HTR1A P08908 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
SCHEMBL7549814 0.94 FLT1 (0.47) KDRFLT1FLT4KMT2AKCNH2
SCHEMBL7546940 0.93 KDR (0.49) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7554304 0.92 KDR (0.54) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7547530 0.90 KDR (0.49) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7987965 0.89 KDR (0.45) KDRFLT1FLT4KMT2AMCL1
SCHEMBL7990656 0.88 CYP1A2 (0.48) KDRFLT1FLT4SMN1; SMN2GSK3B
SCHEMBL7551283 0.88 KDR (0.49) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7553945 0.87 KDR (0.66) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7551275 0.86 KDR (0.47) KDRFLT1FLT4GSK3BQPCT
SCHEMBL7990253 0.86 KDR (0.46) KDRGSK3BQPCTMCL1BAD

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