SCHEMBL4491206

SCHEMBL4491206

Cc1cccc(-c2ccc3c(NC(=O)N4CCC(O)CC4)n[nH]c3c2)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 12/20 0.54
GSK3B P49841 6/20 0.53
GSK3A P49840 5/20 0.53
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
CDK2 P24941 2/20 0.49
PIK3CD O00329 1/20 0.48
PIM1 P11309 1/20 0.48
GAK O14976 1/20 0.48
STK16 O75716 1/20 0.48
BMP2K Q9NSY1 1/20 0.48
HDAC6 Q9UBN7 1/20 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
SCHEMBL4492106 0.92 GSK3B (0.53) AAK1GSK3BGSK3AHDAC1HDAC2
SCHEMBL12886198 0.92 HDAC6 (0.57) AAK1GSK3BGSK3ACDK2PIK3CD
SCHEMBL4491947 0.91 GSK3B (0.56) AAK1GSK3BGSK3ACDK2PIK3CD
SCHEMBL4502580 0.90 GSK3B (0.52) AAK1GSK3BGSK3AHDAC1HDAC2
SCHEMBL4500019 0.89 RAB9A (0.52) AAK1GSK3BGSK3AHDAC1HDAC2
SCHEMBL4498271 0.88 AAK1 (0.50) AAK1GSK3BGSK3AHDAC1HDAC2
SCHEMBL4498065 0.88 AAK1 (0.50) AAK1GSK3BGSK3AHDAC1HDAC2
SCHEMBL4503789 0.88 AAK1 (0.52) AAK1GSK3BGSK3AHDAC1HDAC2
SCHEMBL4491760 0.87 AAK1 (0.71) AAK1GSK3BGSK3AGAKSTK16
SCHEMBL4502391 0.87 HDAC1 (0.66) AAK1GSK3BGSK3AHDAC1HDAC2

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