SCHEMBL4500034

SCHEMBL4500034

CN1CCCC1CCNC(=O)Nc1n[nH]c2cc(-c3ccsc3)ccc12

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.58
GSK3A P49840 5/20 0.58
CDK2 P24941 3/20 0.58
CYP1A2 P05177 1/20 0.55
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
ACKR3 P25106 1/20 0.42
AAK1 Q2M2I8 6/20 0.41
PIK3CD O00329 1/20 0.41
PIM1 P11309 1/20 0.41
CHEK1 O14757 3/20 0.40

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
SCHEMBL4482945 0.88 GSK3B (0.51) GSK3BGSK3ACDK2ACKR3AAK1
SCHEMBL12899166 0.88 GSK3B (0.56) GSK3BGSK3ACDK2AAK1PIK3CD
SCHEMBL12886233 0.86 GSK3B (0.45) GSK3BGSK3ACDK2ACKR3AAK1
SCHEMBL12886077 0.86 HDAC6 (0.51) GSK3BGSK3ACDK2AAK1PIK3CD
SCHEMBL4480802 0.86 CHRM3 (0.47) GSK3BGSK3AHDAC1HDAC2HDAC8
SCHEMBL4488374 0.86 HDAC6 (0.53) GSK3BGSK3ACDK2HDAC1HDAC2
SCHEMBL12899596 0.85 LCK (0.45) GSK3BGSK3ACDK2AAK1PIK3CD
SCHEMBL12899164 0.84 GSK3B (0.47) GSK3BGSK3ACDK2AAK1PIK3CD
SCHEMBL4486750 0.84 HDAC1 (0.59) GSK3BGSK3AHDAC1HDAC2HDAC8
SCHEMBL4499391 0.84 AAK1 (0.61) GSK3BGSK3AAAK1

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