SCHEMBL4495300

SCHEMBL4495300

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

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 12/20 0.70
AAK1 Q2M2I8 4/20 0.56
ABL1 P00519 2/20 0.53
BCR P11274 2/20 0.53
GSK3A P49840 2/20 0.50
PIK3CD O00329 1/20 0.50
PIM1 P11309 1/20 0.50
CDK2 P24941 1/20 0.50
FGFR1 P11362 1/20 0.49
FGFR2 P21802 1/20 0.49
FGFR3 P22607 1/20 0.49
HDAC6 Q9UBN7 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
SCHEMBL4494393 0.86 GSK3B (0.68) GSK3BAAK1GSK3APIK3CDPIM1
SCHEMBL4483349 0.86 GSK3B (0.74) GSK3BAAK1ABL1BCRGSK3A
SCHEMBL4477055 0.86 GSK3B (0.65) GSK3BAAK1GSK3APIK3CDPIM1
SCHEMBL4491415 0.85 GSK3B (0.64) GSK3BAAK1ABL1BCRGSK3A
SCHEMBL4491027 0.85 GSK3B (0.69) GSK3BAAK1GSK3APIK3CDPIM1
SCHEMBL4482280 0.85 AAK1 (0.58) GSK3BAAK1GSK3APIK3CDPIM1
SCHEMBL4494686 0.84 AAK1 (0.57) GSK3BAAK1GSK3APIK3CDPIM1
SCHEMBL4494004 0.84 GSK3B (0.59) GSK3BAAK1ABL1BCRGSK3A
SCHEMBL4489254 0.83 HDAC6 (0.67) GSK3BAAK1HDAC6
SCHEMBL4488991 0.83 GSK3B (0.85) GSK3BABL1BCR

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