SCHEMBL4497972

SCHEMBL4497972

Cc1ccc(-c2ccc3c(NC(=O)N4CCC(C)CC4)n[nH]c3c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.56
AAK1 Q2M2I8 8/20 0.54
GSK3A P49840 7/20 0.54
CDK2 P24941 3/20 0.54
PIK3CD O00329 1/20 0.54
PIM1 P11309 1/20 0.54
ABL1 P00519 1/20 0.51
BCR P11274 1/20 0.51
HDAC6 Q9UBN7 1/20 0.50

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
SCHEMBL12886253 0.94 HDAC6 (0.58) GSK3BAAK1GSK3ACDK2PIK3CD
SCHEMBL4491947 0.92 GSK3B (0.56) GSK3BAAK1GSK3ACDK2PIK3CD
SCHEMBL4492106 0.91 GSK3B (0.53) GSK3BAAK1GSK3ACDK2PIK3CD
SCHEMBL12886069 0.91 GSK3B (0.59) GSK3BAAK1GSK3ACDK2PIK3CD
SCHEMBL4488341 0.89 GSK3B (0.60) GSK3BAAK1GSK3ACDK2PIK3CD
SCHEMBL4487348 0.89 HDAC6 (0.58) GSK3BAAK1GSK3ACDK2PIK3CD
SCHEMBL4491371 0.88 GSK3B (0.59) GSK3BAAK1GSK3ACDK2PIK3CD
SCHEMBL4559025 0.87 GSK3B (0.58) GSK3BAAK1GSK3ACDK2PIK3CD
SCHEMBL4487663 0.87 GSK3B (0.58) GSK3BAAK1GSK3ACDK2PIK3CD
SCHEMBL4490606 0.87 GSK3B (0.58) GSK3BAAK1GSK3ACDK2PIK3CD

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