SCHEMBL13810906

SCHEMBL13810906

CNc1n[nH]c2cc(-c3ccc(C(=O)O)cc3)ccc12

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 4/20 0.67
HDAC6 Q9UBN7 6/20 0.57
GSK3B P49841 8/20 0.55
FGFR1 P11362 1/20 0.55
FGFR2 P21802 1/20 0.55
FGFR3 P22607 1/20 0.55
GSK3A P49840 2/20 0.53
MAP2K4 P45985 2/20 0.52
MAPK1 P28482 1/20 0.52
MAPK6 Q16659 1/20 0.52
PIK3CD O00329 1/20 0.50
PIM1 P11309 1/20 0.50
CDK2 P24941 1/20 0.50

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
SCHEMBL2671627 0.88 AAK1 (0.52) AAK1HDAC6GSK3BFGFR1FGFR2
SCHEMBL12907471 0.81 AAK1 (0.57) AAK1HDAC6GSK3BFGFR1FGFR2
SCHEMBL2671672 0.80 MAPK1 (0.50) AAK1GSK3BGSK3AMAP2K4MAPK1
SCHEMBL12907256 0.80 JAK2 (0.69) AAK1MAP2K4MAPK1MAPK6
SCHEMBL12294028 0.79 CHEK1 (0.58) AAK1HDAC6GSK3BFGFR1FGFR2
SCHEMBL2671796 0.77 MAP2K4 (0.53) HDAC6MAP2K4
SCHEMBL4407779 0.76 GSK3B (0.47) AAK1HDAC6GSK3B
SCHEMBL4150213 0.76 DYRK1A (0.45) AAK1HDAC6GSK3B
SCHEMBL4487525 0.75 GSK3B (0.73) AAK1HDAC6GSK3BFGFR1FGFR2
SCHEMBL27909188 0.73 GSK3B (0.54) GSK3BMAP2K4MAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765788-B1 3-AMINOINDAZOLE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SGK-ASSOCIATED DISEASES MERCK PATENT GMBH (DE) 2009-06-03 EP disclosed