SCHEMBL4494232

SCHEMBL4494232

O=C(Nc1n[nH]c2cc(-c3ccsc3)ccc12)C1CCC1

nearest known ligand 0.91

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.91
GSK3A P49840 9/20 0.91
CDK2 P24941 5/20 0.91
CYP1A2 P05177 1/20 0.65
AAK1 Q2M2I8 9/20 0.65
PIK3CD O00329 1/20 0.65
PIM1 P11309 1/20 0.65
HDAC1 Q13547 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC8 Q9BY41 1/20 0.60

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 0.98 GSK3B (0.91) GSK3BGSK3ACDK2CYP1A2AAK1
SCHEMBL4497828 0.95 GSK3B (1.00) GSK3BGSK3ACDK2CYP1A2AAK1
SCHEMBL4499817 0.84 GSK3A (0.91) GSK3BGSK3ACDK2AAK1PIK3CD
SCHEMBL4492445 0.83 GSK3B (0.70) GSK3BGSK3ACDK2CYP1A2AAK1
SCHEMBL4484268 0.83 GSK3B (0.73) GSK3BGSK3ACDK2AAK1PIK3CD
SCHEMBL4485822 0.83 AAK1 (0.72) GSK3BGSK3ACDK2AAK1PIK3CD
SCHEMBL4480520 0.83 GSK3A (0.92) GSK3BGSK3ACDK2AAK1PIK3CD
SCHEMBL4487631 0.82 GSK3B (0.75) GSK3BGSK3ACDK2CYP1A2AAK1
SCHEMBL4481115 0.82 GSK3B (0.71) GSK3BGSK3ACDK2AAK1PIK3CD
SCHEMBL4487011 0.82 AAK1 (0.67) 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