SCHEMBL4498057

SCHEMBL4498057

Cc1ccc(C)c(-c2ccc3c(NC(=O)C(C)C)n[nH]c3c2)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.52
GSK3B P49841 14/20 0.51
KDR P35968 1/20 0.50
HDAC6 Q9UBN7 2/20 0.47
DYRK1A Q13627 1/20 0.46
CYP1A2 P05177 2/20 0.43
GSK3A P49840 2/20 0.43
PIK3CD O00329 1/20 0.43
PIM1 P11309 1/20 0.43
CDK2 P24941 1/20 0.43
MAPK1 P28482 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
SCHEMBL4480790 0.87 DYRK1A (0.57) AAK1GSK3BKDRHDAC6DYRK1A
SCHEMBL4477055 0.87 GSK3B (0.65) AAK1GSK3BKDRHDAC6GSK3A
SCHEMBL4494390 0.86 GSK3B (0.49) AAK1GSK3BHDAC6DYRK1AGSK3A
SCHEMBL4483739 0.86 AAK1 (0.58) AAK1GSK3BKDRHDAC6DYRK1A
SCHEMBL4484485 0.85 ADORA3 (0.49) GSK3BHDAC6GSK3AMAPK1
SCHEMBL4502197 0.84 AAK1 (0.64) AAK1GSK3BHDAC6CYP1A2GSK3A
SCHEMBL4495082 0.83 HDAC6 (0.66) AAK1GSK3BKDRHDAC6DYRK1A
SCHEMBL4506246 0.83 GSK3B (0.67) GSK3BCYP1A2
SCHEMBL4497978 0.82 GSK3B (0.57) GSK3BCYP1A2
SCHEMBL4480196 0.82 FGFR1 (0.65) AAK1GSK3BHDAC6

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