SCHEMBL7516392

SCHEMBL7516392

CC(C)C(N(C)C)n1cc(-c2cncc(-c3ccccc3)c2)c2cc(C#N)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.36
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36
NR3C1 P04150 3/20 0.36
PGR P06401 3/20 0.36
NR3C2 P08235 3/20 0.36
HTR6 P50406 1/20 0.35
CYP11B2 P19099 3/20 0.34
CYP11B1 P15538 1/20 0.34
AR P10275 2/20 0.34
KDM1A O60341 1/20 0.33
XDH P47989 1/20 0.33
GABRA1 P14867 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
FNTA P49354 2/20 0.33
FNTB P49356 2/20 0.33
PGGT1B P53609 2/20 0.33

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
SCHEMBL7508656 0.90 PGR (0.37) KDRFLT1FLT4NR3C1PGR
SCHEMBL7512153 0.90 FNTA (0.35) NR3C1PGRNR3C2FNTAFNTB
SCHEMBL7511432 0.89 KDM1A (0.44) NR3C1PGRNR3C2CYP11B2CYP11B1
SCHEMBL7507024 0.88 KDM1A (0.39) KDM1AFNTAFNTBPGGT1B
SCHEMBL7504857 0.87 KDR (0.48) KDRFLT1FLT4NR3C1PGR
SCHEMBL7507268 0.81 KDR (0.46) KDRFLT1FLT4NR3C1PGR
SCHEMBL7505916 0.77 CCNT1 (0.38) CYP11B2KDM1ACDK7CDK9
SCHEMBL7507112 0.75 KDR (0.59) KDRFLT1FLT4HTR6FLT3
SCHEMBL7506878 0.72 KDR (0.41) KDRFLT1FLT4NR3C1PGR
SCHEMBL7503782 0.72 KDR (0.41) KDRFLT1FLT4FNTAFNTB

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