SCHEMBL4495192

SCHEMBL4495192

COc1ccc(C(C)C)cc1-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.59
AAK1 Q2M2I8 9/20 0.59
GSK3A P49840 9/20 0.59
CDK2 P24941 5/20 0.59
PIK3CD O00329 1/20 0.59
PIM1 P11309 1/20 0.59
HDAC1 Q13547 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC8 Q9BY41 1/20 0.58

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
SCHEMBL4502400 0.96 HDAC1 (0.54) GSK3BAAK1GSK3ACDK2PIK3CD
SCHEMBL4488634 0.96 HDAC1 (0.54) GSK3BAAK1GSK3ACDK2PIK3CD
SCHEMBL4495130 0.87 HDAC1 (0.69) GSK3BAAK1GSK3ACDK2PIK3CD
SCHEMBL4491018 0.87 GSK3B (0.76) GSK3BAAK1GSK3ACDK2PIK3CD
SCHEMBL4499137 0.86 HDAC6 (0.55) GSK3BAAK1HDAC1HDAC2HDAC8
SCHEMBL4493050 0.86 GSK3B (0.72) GSK3BAAK1GSK3ACDK2PIK3CD
SCHEMBL4479962 0.86 AAK1 (0.74) GSK3BAAK1GSK3ACDK2PIK3CD
SCHEMBL26394322 0.86 GSK3B (0.48) GSK3BAAK1GSK3ACDK2PIK3CD
Hydrochloric Acid SCHEMBL26132840 0.85 GSK3B (0.47) GSK3BAAK1GSK3ACDK2PIK3CD
SCHEMBL4492264 0.85 HDAC1 (0.53) GSK3BAAK1HDAC1HDAC2HDAC8

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