SCHEMBL4500708

SCHEMBL4500708

O=C(Nc1n[nH]c2cc(-c3cc(F)ccc3F)ccc12)c1c(F)cccc1F

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.67
HDAC6 Q9UBN7 10/20 0.61
GSK3A P49840 1/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
FGFR4 P22455 3/20 0.52
FGFR1 P11362 2/20 0.52
FGFR2 P21802 2/20 0.52
FGFR3 P22607 2/20 0.52

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
SCHEMBL4488922 0.93 GSK3B (0.64) GSK3BHDAC6GSK3AHDAC1HDAC2
SCHEMBL4488620 0.91 HDAC6 (0.61) GSK3BHDAC6GSK3AHDAC1HDAC2
SCHEMBL4496487 0.91 GSK3B (0.67) GSK3BHDAC6GSK3AHDAC1HDAC2
SCHEMBL4485554 0.88 GSK3B (0.66) GSK3BHDAC6GSK3AHDAC1HDAC2
SCHEMBL4493131 0.88 HDAC6 (0.73) GSK3BHDAC6GSK3AHDAC1HDAC2
SCHEMBL4502187 0.88 GSK3B (0.69) GSK3BHDAC6GSK3AFGFR1FGFR2
SCHEMBL4491683 0.87 HDAC6 (0.70) GSK3BHDAC6HDAC1HDAC2HDAC8
SCHEMBL4497997 0.86 HDAC6 (0.57) GSK3BHDAC6GSK3AHDAC1HDAC2
SCHEMBL4495002 0.86 GSK3B (0.69) GSK3BHDAC6GSK3AHDAC1HDAC2
SCHEMBL4499175 0.85 HDAC6 (0.70) GSK3BHDAC6GSK3AHDAC1HDAC2

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