SCHEMBL4486330

SCHEMBL4486330

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

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 19/20 0.75
CYP1A2 P05177 3/20 0.75
CDK2 P24941 1/20 0.64
GSK3A P49840 1/20 0.64
HDAC1 Q13547 1/20 0.61
HDAC2 Q92769 1/20 0.61
HDAC8 Q9BY41 1/20 0.61

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
SCHEMBL4559036 0.91 GSK3B (0.67) GSK3BCYP1A2CDK2GSK3AHDAC1
SCHEMBL4505822 0.89 GSK3B (0.66) GSK3BCYP1A2CDK2GSK3AHDAC1
SCHEMBL4503229 0.88 GSK3B (0.64) GSK3BCYP1A2CDK2GSK3AHDAC1
SCHEMBL4481921 0.88 GSK3B (0.63) GSK3BCYP1A2CDK2GSK3AHDAC1
SCHEMBL4483246 0.87 GSK3B (0.69) GSK3BCYP1A2CDK2GSK3AHDAC1
SCHEMBL4503186 0.87 GSK3B (0.63) GSK3BCYP1A2CDK2GSK3AHDAC1
SCHEMBL4491218 0.86 GSK3B (0.61) GSK3BCYP1A2CDK2GSK3AHDAC1
SCHEMBL1462380 0.86 GSK3B (1.00) GSK3BCYP1A2CDK2GSK3AHDAC1
SCHEMBL4497067 0.84 GSK3B (0.64) GSK3BCYP1A2
SCHEMBL4486435 0.84 GSK3B (0.85) GSK3BCYP1A2CDK2GSK3AHDAC1

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