SCHEMBL4505331

SCHEMBL4505331

O=C(COCc1ccccc1)Nc1n[nH]c2cc(-c3ccc(F)cc3F)ccc12

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.55
HDAC2 Q92769 6/20 0.55
HDAC8 Q9BY41 6/20 0.55
GSK3B P49841 12/20 0.54
HDAC6 Q9UBN7 2/20 0.50
CYP1A2 P05177 1/20 0.48
GSK3A P49840 1/20 0.46

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
SCHEMBL4492520 0.91 HDAC1 (0.65) HDAC1HDAC2HDAC8GSK3BHDAC6
SCHEMBL4490970 0.89 GSK3B (0.65) HDAC1HDAC2HDAC8GSK3BHDAC6
SCHEMBL4486646 0.87 GSK3B (0.60) HDAC1HDAC2HDAC8GSK3BHDAC6
SCHEMBL4492050 0.87 HDAC6 (0.63) HDAC1HDAC2HDAC8GSK3BHDAC6
SCHEMBL4503064 0.86 GSK3B (0.60) HDAC1HDAC2HDAC8GSK3BHDAC6
SCHEMBL4493425 0.85 GSK3B (0.68) HDAC1HDAC2HDAC8GSK3BHDAC6
SCHEMBL4502564 0.84 GSK3B (0.60) HDAC1HDAC2HDAC8GSK3BHDAC6
SCHEMBL4495263 0.84 GSK3B (0.57) HDAC1HDAC2HDAC8GSK3BHDAC6
SCHEMBL4494583 0.84 HDAC1 (0.68) HDAC1HDAC2HDAC8GSK3BHDAC6
SCHEMBL4482189 0.83 GSK3B (0.59) HDAC1HDAC2HDAC8GSK3BHDAC6

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