SCHEMBL7511432

SCHEMBL7511432

COc1ccc(-c2cncc(-c3cn(C(C(C)C)N(C)C)c4ccc(C#N)cc34)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.44
PTPN11 Q06124 1/20 0.39
ALPL P05186 1/20 0.38
MAPKAPK2 P49137 1/20 0.37
NR3C1 P04150 3/20 0.36
PGR P06401 3/20 0.36
NR3C2 P08235 3/20 0.36
XDH P47989 1/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2B Q13224 2/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
MAP4K4 O95819 1/20 0.34
SLC22A12 Q96S37 2/20 0.34
AR P10275 2/20 0.34
SCN9A Q15858 1/20 0.34
PRMT5 O14744 2/20 0.33
WDR77 Q9BQA1 2/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 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
SCHEMBL7507024 0.90 KDM1A (0.39) KDM1AFNTAFNTB
SCHEMBL7508656 0.89 PGR (0.37) KDM1AALPLMAPKAPK2NR3C1PGR
SCHEMBL7516392 0.89 KDR (0.36) KDM1ANR3C1PGRNR3C2XDH
SCHEMBL7504857 0.83 KDR (0.48) KDM1ANR3C1PGRNR3C2AR
SCHEMBL7512153 0.83 FNTA (0.35) NR3C1PGRNR3C2FNTAFNTB
SCHEMBL7987509 0.83 KDM1A (0.44) KDM1APTPN11ALPLMAPKAPK2NR3C1
SCHEMBL7990500 0.78 KDM1A (0.41) KDM1APTPN11ALPLXDHSCN9A
SCHEMBL7987165 0.77 KDR (0.51) KDM1APTPN11ALPLMAPKAPK2
SCHEMBL7549809 0.77 HTR6 (0.43) ALPLMAP4K4CYP11B1CYP11B2
SCHEMBL7976282 0.73 FLT1 (0.40) KDM1AFNTAFNTB

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