SCHEMBL4491371

SCHEMBL4491371

Cc1ccc(-c2ccc3c(NC(=O)N4CCCCC4)n[nH]c3c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 12/20 0.59
ABL1 P00519 1/20 0.54
BCR P11274 1/20 0.54
AAK1 Q2M2I8 4/20 0.51
GSK3A P49840 2/20 0.51
PIK3CD O00329 1/20 0.51
PIM1 P11309 1/20 0.51
CDK2 P24941 1/20 0.51
HDAC6 Q9UBN7 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
FGFR1 P11362 1/20 0.47
FGFR2 P21802 1/20 0.47
FGFR3 P22607 1/20 0.47

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
SCHEMBL4488341 0.99 GSK3B (0.60) GSK3BABL1BCRAAK1GSK3A
SCHEMBL4500019 0.90 RAB9A (0.52) GSK3BAAK1GSK3AHDAC6RAB9A
SCHEMBL4490606 0.90 GSK3B (0.58) GSK3BABL1BCRAAK1GSK3A
SCHEMBL4559025 0.90 GSK3B (0.58) GSK3BABL1BCRAAK1GSK3A
SCHEMBL4487663 0.90 GSK3B (0.58) GSK3BABL1BCRAAK1GSK3A
SCHEMBL4502580 0.89 GSK3B (0.52) GSK3BAAK1GSK3AHDAC6RAB9A
SCHEMBL4491947 0.88 GSK3B (0.56) GSK3BABL1BCRAAK1GSK3A
SCHEMBL4494882 0.88 HDAC6 (0.61) GSK3BAAK1GSK3APIK3CDPIM1
SCHEMBL4497972 0.88 GSK3B (0.56) GSK3BABL1BCRAAK1GSK3A
SCHEMBL4483361 0.87 HDAC6 (0.62) GSK3BAAK1GSK3APIK3CDPIM1

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
US-7632854-B2 Aminoindazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2009-12-15 US claimed