SCHEMBL4558529

SCHEMBL4558529

CC(=O)NCCNC(=O)Nc1n[nH]c2cc(-c3ccc(C)cc3)ccc12

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 16/20 0.65
ABL1 P00519 1/20 0.56
BCR P11274 1/20 0.56
HDAC6 Q9UBN7 1/20 0.50
CYP1A2 P05177 1/20 0.48
GSK3A P49840 2/20 0.48
AAK1 Q2M2I8 2/20 0.48
PIK3CD O00329 1/20 0.48
PIM1 P11309 1/20 0.48
CDK2 P24941 1/20 0.48
DYRK1A Q13627 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
SCHEMBL4494624 0.90 GSK3B (0.53) GSK3BABL1HDAC6CYP1A2GSK3A
SCHEMBL4497067 0.90 GSK3B (0.64) GSK3BABL1BCRCYP1A2
SCHEMBL4499724 0.89 GSK3B (0.62) GSK3BABL1BCRHDAC6CYP1A2
SCHEMBL4491092 0.88 HDAC6 (0.61) GSK3BHDAC6
SCHEMBL4492112 0.88 GSK3B (0.61) GSK3BABL1BCRHDAC6CYP1A2
SCHEMBL4480331 0.88 GSK3B (0.61) GSK3BABL1BCRCYP1A2
SCHEMBL4492939 0.87 GSK3B (0.60) GSK3BABL1BCRHDAC6AAK1
SCHEMBL4499397 0.85 GSK3B (0.70) GSK3BHDAC6GSK3AAAK1PIK3CD
SCHEMBL4488792 0.85 AAK1 (0.68) GSK3BCYP1A2AAK1
SCHEMBL4559036 0.85 GSK3B (0.67) GSK3BCYP1A2GSK3AAAK1CDK2

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