SCHEMBL7508656

SCHEMBL7508656

CC(C)C(N(C)C)n1cc(-c2cncc(-c3ccc(Cl)cc3)c2)c2cc(C#N)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.37
NR3C1 P04150 3/20 0.37
NR3C2 P08235 3/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
AR P10275 2/20 0.35
ALPL P05186 1/20 0.35
XDH P47989 1/20 0.34
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
KDM1A O60341 1/20 0.33
S1PR1 P21453 1/20 0.32
FLT1 P17948 1/20 0.32
FLT4 P35916 1/20 0.32
KDR P35968 1/20 0.32
FLT3 P36888 3/20 0.32
ABCC9 O60706 1/20 0.32
AURKA O14965 1/20 0.32
JAK2 O60674 1/20 0.32

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
SCHEMBL7516392 0.90 KDR (0.36) PGRNR3C1NR3C2ARXDH
SCHEMBL7512153 0.90 FNTA (0.35) PGRNR3C1NR3C2FNTAFNTB
SCHEMBL7511432 0.89 KDM1A (0.44) PGRNR3C1NR3C2ARALPL
SCHEMBL7504857 0.85 KDR (0.48) PGRNR3C1NR3C2ARKDM1A
SCHEMBL7507024 0.83 KDM1A (0.39) KDM4EFNTAFNTBKDM1A
SCHEMBL7506878 0.82 KDR (0.41) PGRNR3C1NR3C2ARALPL
SCHEMBL7994416 0.78 CCNT1 (0.37) PGRNR3C1NR3C2XDHKDM1A
SCHEMBL7512851 0.76 KDR (0.52) PGRNR3C1NR3C2TDP1AR
SCHEMBL7503782 0.72 KDR (0.41) FNTAFNTBFLT1FLT4KDR
SCHEMBL7507268 0.72 KDR (0.46) PGRNR3C1NR3C2ARXDH

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 9 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-2001032644-A2 EXCITATORY AMINO ACID DERIVATIVES ELI LILLY AND COMPANY (US) 2001-05-10 WO 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-2001032644-A2 EXCITATORY AMINO ACID DERIVATIVES ELI LILLY AND COMPANY (US) 2001-05-10 WO disclosed
WO-2000043393-A1 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO., INC. (US) 2000-07-27 WO disclosed