SCHEMBL4489164

SCHEMBL4489164

CC(Oc1ccccc1)C(=O)Nc1n[nH]c2cc(-c3ccsc3)ccc12

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.60
CYP1A2 P05177 1/20 0.60
GSK3A P49840 2/20 0.58
CDK2 P24941 1/20 0.58
HDAC1 Q13547 5/20 0.54
HDAC2 Q92769 5/20 0.54
HDAC8 Q9BY41 5/20 0.54
HDAC6 Q9UBN7 3/20 0.50
FGFR1 P11362 2/20 0.48
FGFR2 P21802 2/20 0.48
FGFR3 P22607 2/20 0.48
ADORA3 P0DMS8 3/20 0.46
ADORA2A P29274 3/20 0.46
ADORA1 P30542 1/20 0.46
AAK1 Q2M2I8 1/20 0.44
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL4496312 0.89 GSK3B (0.60) GSK3BGSK3AHDAC1HDAC2HDAC8
SCHEMBL4490547 0.86 GSK3B (0.58) GSK3BGSK3AHDAC1HDAC2HDAC8
SCHEMBL4497946 0.85 GSK3B (0.53) GSK3BGSK3AHDAC1HDAC2HDAC8
SCHEMBL4505011 0.85 HDAC6 (0.59) GSK3BGSK3AHDAC1HDAC2HDAC8
SCHEMBL4490306 0.85 HDAC6 (0.52) GSK3BGSK3AHDAC1HDAC2HDAC8
SCHEMBL4503333 0.85 GSK3B (0.58) GSK3BCYP1A2GSK3AHDAC1HDAC2
SCHEMBL4503257 0.85 GSK3B (0.59) GSK3BGSK3ACDK2HDAC1HDAC2
SCHEMBL4493554 0.85 GSK3B (0.71) GSK3BCYP1A2GSK3ACDK2HDAC1
SCHEMBL4483701 0.84 HDAC6 (0.55) GSK3BGSK3AHDAC6FGFR1FGFR2
SCHEMBL4494179 0.84 HDAC6 (0.56) GSK3BGSK3AHDAC1HDAC2HDAC8

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