SCHEMBL4494393

SCHEMBL4494393

CC(C)C(=O)Nc1n[nH]c2cc(-c3ccccc3)ccc12

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.68
GSK3A P49840 3/20 0.66
AAK1 Q2M2I8 4/20 0.64
HDAC6 Q9UBN7 2/20 0.63
FGFR1 P11362 2/20 0.61
FGFR2 P21802 2/20 0.61
FGFR3 P22607 2/20 0.61
HDAC1 Q13547 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
MAPK1 P28482 1/20 0.54
PIK3CD O00329 1/20 0.53
PIM1 P11309 1/20 0.53
CDK2 P24941 1/20 0.53

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
SCHEMBL4477055 0.90 GSK3B (0.65) GSK3BGSK3AAAK1HDAC6FGFR1
SCHEMBL4502197 0.89 AAK1 (0.64) GSK3BGSK3AAAK1HDAC6
SCHEMBL4482280 0.89 AAK1 (0.58) GSK3BGSK3AAAK1HDAC6FGFR1
SCHEMBL4491027 0.89 GSK3B (0.69) GSK3BGSK3AAAK1FGFR1FGFR2
SCHEMBL4487117 0.88 GSK3B (0.69) GSK3BGSK3AHDAC6FGFR1FGFR2
SCHEMBL4497666 0.88 GSK3B (0.69) GSK3BGSK3AAAK1HDAC6
SCHEMBL4499436 0.88 HDAC6 (0.66) GSK3BGSK3AAAK1HDAC6HDAC1
SCHEMBL4494686 0.88 AAK1 (0.57) GSK3BGSK3AAAK1HDAC6FGFR1
SCHEMBL4489254 0.86 HDAC6 (0.67) GSK3BAAK1HDAC6HDAC1HDAC2
SCHEMBL4495300 0.86 GSK3B (0.70) GSK3BGSK3AAAK1HDAC6FGFR1

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