SCHEMBL4497828

SCHEMBL4497828

O=C(Nc1n[nH]c2cc(-c3ccsc3)ccc12)C1CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 1.00
GSK3A P49840 9/20 1.00
CDK2 P24941 5/20 1.00
AAK1 Q2M2I8 9/20 0.71
PIK3CD O00329 1/20 0.71
PIM1 P11309 1/20 0.71
CYP1A2 P05177 1/20 0.67
HDAC1 Q13547 1/20 0.62
HDAC2 Q92769 1/20 0.62
HDAC8 Q9BY41 1/20 0.62

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
SCHEMBL4491509 0.95 GSK3B (0.91) GSK3BGSK3ACDK2AAK1PIK3CD
SCHEMBL4494232 0.95 GSK3B (0.91) GSK3BGSK3ACDK2AAK1PIK3CD
SCHEMBL4487631 0.84 GSK3B (0.75) GSK3BGSK3ACDK2AAK1PIK3CD
SCHEMBL4486435 0.84 GSK3B (0.85) GSK3BGSK3ACDK2CYP1A2HDAC1
SCHEMBL4500013 0.83 GSK3A (1.00) GSK3BGSK3ACDK2AAK1PIK3CD
SCHEMBL4492445 0.83 GSK3B (0.70) GSK3BGSK3ACDK2AAK1PIK3CD
SCHEMBL4503726 0.83 GSK3B (0.70) GSK3BGSK3ACDK2AAK1PIK3CD
SCHEMBL4493549 0.82 GSK3B (0.80) GSK3BGSK3ACDK2AAK1PIK3CD
SCHEMBL4484280 0.82 AAK1 (0.80) GSK3BGSK3ACDK2AAK1PIK3CD
SCHEMBL4492221 0.82 GSK3B (0.69) GSK3BGSK3ACDK2AAK1PIK3CD

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