SCHEMBL4489196

SCHEMBL4489196

Cc1cccc(-c2ccc3c(NC(=O)NCC(C)C)n[nH]c3c2)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.53
AAK1 Q2M2I8 7/20 0.50
GAK O14976 2/20 0.50
STK16 O75716 2/20 0.50
BMP2K Q9NSY1 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
CDKL2 Q92772 1/20 0.49
CYP1A2 P05177 1/20 0.48
GSK3A P49840 2/20 0.48
FGFR1 P11362 1/20 0.48
FGFR2 P21802 1/20 0.48
FGFR3 P22607 1/20 0.48
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC8 Q9BY41 2/20 0.47

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
SCHEMBL12886108 0.91 GSK3B (0.53) GSK3BAAK1GAKSTK16BMP2K
SCHEMBL4486390 0.90 GSK3B (0.62) GSK3BAAK1HDAC6CYP1A2GSK3A
SCHEMBL4479953 0.87 HDAC1 (0.64) GSK3BHDAC6FGFR1FGFR2FGFR3
SCHEMBL4480187 0.86 GSK3B (0.59) GSK3BHDAC6CYP1A2FGFR1FGFR2
SCHEMBL12886189 0.86 GSK3B (0.52) GSK3BAAK1GAKSTK16BMP2K
SCHEMBL4488734 0.85 GSK3B (0.53) GSK3BAAK1HDAC6CYP1A2GSK3A
SCHEMBL4494624 0.85 GSK3B (0.53) GSK3BAAK1HDAC6CYP1A2GSK3A
SCHEMBL4498152 0.84 GSK3B (0.52) GSK3BAAK1HDAC6CYP1A2GSK3A
SCHEMBL4502574 0.84 GSK3B (0.57) GSK3BHDAC6CYP1A2FGFR1FGFR2
SCHEMBL12886381 0.83 GSK3B (0.52) GSK3BAAK1HDAC6CYP1A2GSK3A

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