SCHEMBL4497447

SCHEMBL4497447

COc1ccc(-c2ccc3c(NC(=O)C4CCC4)n[nH]c3c2)c(OC)c1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.66
HDAC2 Q92769 1/20 0.66
HDAC8 Q9BY41 1/20 0.66
AAK1 Q2M2I8 9/20 0.58
GSK3B P49841 8/20 0.58
GSK3A P49840 6/20 0.58
CDK2 P24941 2/20 0.58
PIK3CD O00329 1/20 0.58
PIM1 P11309 1/20 0.58
HDAC6 Q9UBN7 2/20 0.55

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
SCHEMBL4493477 0.98 HDAC1 (0.66) HDAC1HDAC2HDAC8AAK1GSK3B
SCHEMBL4493711 0.97 HDAC1 (0.65) HDAC1HDAC2HDAC8AAK1GSK3B
SCHEMBL4504402 0.96 HDAC1 (0.71) HDAC1HDAC2HDAC8AAK1GSK3B
SCHEMBL4492977 0.93 HDAC1 (0.65) HDAC1HDAC2HDAC8AAK1GSK3B
SCHEMBL4494476 0.91 HDAC1 (0.65) HDAC1HDAC2HDAC8AAK1GSK3B
SCHEMBL4502185 0.90 HDAC1 (0.70) HDAC1HDAC2HDAC8AAK1GSK3B
SCHEMBL4495130 0.89 HDAC1 (0.69) HDAC1HDAC2HDAC8AAK1GSK3B
SCHEMBL4497932 0.88 HDAC6 (0.66) HDAC1HDAC2HDAC8AAK1GSK3B
SCHEMBL4494675 0.88 HDAC1 (0.70) HDAC1HDAC2HDAC8AAK1GSK3B
SCHEMBL4485572 0.87 HDAC1 (0.85) HDAC1HDAC2HDAC8AAK1GSK3B

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