SCHEMBL4475876

SCHEMBL4475876

CCOc1ccccc1-c1ccc2c(NC(=O)C3CCC3)n[nH]c2c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.62
GSK3A P49840 7/20 0.62
AAK1 Q2M2I8 10/20 0.57
CDK2 P24941 4/20 0.57
PIK3CD O00329 1/20 0.57
PIM1 P11309 1/20 0.57
HDAC1 Q13547 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
GAK O14976 1/20 0.54
STK16 O75716 1/20 0.54
BMP2K Q9NSY1 1/20 0.54

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
SCHEMBL4493336 0.98 GSK3B (0.62) GSK3BGSK3AAAK1CDK2PIK3CD
SCHEMBL4497932 0.89 HDAC6 (0.66) GSK3BGSK3AAAK1CDK2PIK3CD
SCHEMBL4492327 0.87 HDAC6 (0.66) GSK3BGSK3AAAK1CDK2PIK3CD
SCHEMBL4487511 0.86 HDAC6 (0.65) GSK3BGSK3AAAK1CDK2PIK3CD
SCHEMBL4483037 0.86 HDAC6 (0.58) GSK3BGSK3AAAK1HDAC1HDAC2
SCHEMBL4504749 0.85 FGFR1 (0.69) GSK3BGSK3AAAK1HDAC1HDAC2
SCHEMBL4485396 0.85 GSK3B (0.69) GSK3BGSK3AAAK1CDK2PIK3CD
SCHEMBL4493050 0.85 GSK3B (0.72) GSK3BGSK3AAAK1CDK2PIK3CD
SCHEMBL4487690 0.85 HDAC1 (0.56) GSK3BGSK3AAAK1HDAC1HDAC2
SCHEMBL4502345 0.83 FGFR1 (0.69) GSK3BGSK3AAAK1HDAC1HDAC2

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