SCHEMBL7555811

SCHEMBL7555811

COc1cccc(-c2cncc(-c3cn(CCCN(C)C)c4c(OC)cccc34)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.50
CNR2 P34972 3/20 0.49
HTR6 P50406 2/20 0.41
BRD4 O60885 1/20 0.40
FLT3 P36888 1/20 0.40
GSK3B P49841 1/20 0.39
QPCT Q16769 1/20 0.39
PRKD1 Q15139 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RAD52 P43351 1/20 0.37
PIM1 P11309 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
TLR8 Q9NR97 1/20 0.36
BRAF P15056 1/20 0.36
MAPK14 Q16539 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36

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
SCHEMBL7986796 0.91 CNR2 (0.52) KDRCNR2HTR6BRD4FLT3
SCHEMBL7549622 0.91 KDR (0.55) KDRCNR2HTR6BRD4FLT3
SCHEMBL7994193 0.90 KDR (0.49) KDRCNR2HTR6BRD4FLT3
SCHEMBL7550679 0.87 KDR (0.67) KDRBRD4FLT3GSK3BQPCT
SCHEMBL7990971 0.85 KDR (0.70) KDRCNR2HTR6FLT3PDGFRB
SCHEMBL7987071 0.85 KDR (0.56) KDRHTR6FLT3GSK3BQPCT
SCHEMBL7555367 0.84 KDR (0.51) KDRCNR2GSK3BQPCT
SCHEMBL7556041 0.84 KDR (0.53) KDRCNR2BRD4GSK3BQPCT
SCHEMBL7547229 0.83 KDR (0.51) KDRCNR2HTR6BRD4CYP11B1
SCHEMBL7988115 0.82 KDR (0.49) KDRCNR2BRD4FLT3CYP11B1

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 4 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
US-6265403-B1 TYROSINE INHIBITORS MERCK & CO., INC. 2001-07-24 US disclosed