SCHEMBL4479967

SCHEMBL4479967

O=C(Nc1n[nH]c2cc(-c3ccsc3)ccc12)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.60
GSK3A P49840 3/20 0.60
CDK2 P24941 2/20 0.60
CYP1A2 P05177 1/20 0.55
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
ACHE P22303 1/20 0.49
FAAH O00519 4/20 0.48
AAK1 Q2M2I8 5/20 0.45
GAK O14976 1/20 0.44
STK16 O75716 1/20 0.44
CDKL2 Q92772 1/20 0.44
BMP2K Q9NSY1 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
ROCK1 Q13464 1/20 0.43

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
SCHEMBL4492221 0.85 GSK3B (0.69) GSK3BGSK3ACDK2CYP1A2HDAC1
SCHEMBL4482867 0.85 GSK3B (0.68) GSK3BGSK3ACDK2CYP1A2HDAC1
SCHEMBL4485926 0.84 MEN1 (0.61) GSK3BGSK3AHDAC1HDAC2HDAC8
SCHEMBL4497268 0.83 GSK3B (0.68) GSK3BGSK3ACDK2CYP1A2HDAC1
SCHEMBL4480993 0.83 HDAC1 (0.59) GSK3BGSK3AHDAC1HDAC2HDAC8
SCHEMBL4503167 0.82 GSK3B (0.64) GSK3BGSK3ACDK2CYP1A2HDAC1
SCHEMBL4495093 0.82 GSK3B (0.67) GSK3BGSK3ACDK2CYP1A2HDAC1
SCHEMBL4495422 0.81 GSK3B (0.66) GSK3BGSK3ACDK2CYP1A2HDAC1
SCHEMBL4489993 0.81 GSK3B (0.66) GSK3BGSK3ACDK2CYP1A2HDAC1
SCHEMBL4476075 0.78 GSK3B (0.63) GSK3BGSK3ACDK2CYP1A2HDAC1

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