SCHEMBL4492040

SCHEMBL4492040

O=C(CCC1CCCC1)Nc1n[nH]c2cc(-c3cccs3)ccc12

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 15/20 0.68
CDK2 P24941 1/20 0.68
GSK3A P49840 1/20 0.68
FGFR4 P22455 1/20 0.53
HDAC1 Q13547 4/20 0.52
HDAC2 Q92769 4/20 0.52
HDAC3 O15379 1/20 0.52
CYP1A2 P05177 2/20 0.51
HDAC8 Q9BY41 3/20 0.48

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
SCHEMBL4479144 0.86 GSK3B (0.71) GSK3BGSK3AHDAC1HDAC2CYP1A2
SCHEMBL4483353 0.86 GSK3B (0.70) GSK3BCDK2GSK3ACYP1A2
SCHEMBL4491491 0.84 GSK3B (0.73) GSK3BCDK2GSK3AHDAC1HDAC2
SCHEMBL4502378 0.84 GSK3A (0.92) GSK3BCDK2GSK3AHDAC1HDAC2
SCHEMBL4503133 0.83 GSK3B (0.70) GSK3BCDK2GSK3AHDAC1HDAC2
SCHEMBL4487872 0.83 GSK3B (0.71) GSK3BCDK2GSK3AHDAC1HDAC2
SCHEMBL4500329 0.82 GSK3B (0.68) GSK3BGSK3AHDAC1HDAC2CYP1A2
SCHEMBL4486136 0.82 GSK3B (0.54) GSK3BHDAC1HDAC2CYP1A2HDAC8
SCHEMBL4500078 0.82 GSK3B (0.57) GSK3BCYP1A2
SCHEMBL4497780 0.82 GSK3B (0.60) GSK3BCYP1A2

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