SCHEMBL4491018

SCHEMBL4491018

COc1ccc(F)cc1-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.76
HDAC6 Q9UBN7 2/20 0.69
GSK3A P49840 6/20 0.68
AAK1 Q2M2I8 8/20 0.61
CDK2 P24941 2/20 0.61
PIK3CD O00329 1/20 0.61
PIM1 P11309 1/20 0.61
HDAC1 Q13547 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
ABL1 P00519 1/20 0.59
CDKL2 Q92772 1/20 0.56

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
SCHEMBL4482515 0.96 GSK3B (0.71) GSK3BHDAC6GSK3AAAK1CDK2
SCHEMBL4501634 0.96 GSK3B (0.71) GSK3BHDAC6GSK3AAAK1CDK2
SCHEMBL4493050 0.90 GSK3B (0.72) GSK3BHDAC6GSK3AAAK1CDK2
SCHEMBL4495130 0.89 HDAC1 (0.69) GSK3BGSK3AAAK1CDK2PIK3CD
SCHEMBL4488293 0.87 HDAC6 (0.75) GSK3BHDAC6GSK3AHDAC1HDAC2
SCHEMBL4502424 0.87 GSK3B (1.00) GSK3BGSK3AAAK1CDK2PIK3CD
SCHEMBL4495192 0.87 GSK3B (0.59) GSK3BGSK3AAAK1CDK2PIK3CD
SCHEMBL4492327 0.86 HDAC6 (0.66) GSK3BHDAC6GSK3AAAK1CDK2
SCHEMBL4497932 0.86 HDAC6 (0.66) GSK3BHDAC6GSK3AAAK1CDK2
SCHEMBL4492977 0.85 HDAC1 (0.65) GSK3BHDAC6GSK3AAAK1CDK2

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