SCHEMBL4493989

SCHEMBL4493989

Cc1cccc(C)c1-c1ccc2c(NC(=O)c3c(F)cccc3F)n[nH]c2c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 12/20 0.55
GSK3B P49841 4/20 0.49
GSK3A P49840 1/20 0.49
FGFR1 P11362 2/20 0.49
FGFR2 P21802 2/20 0.49
FGFR3 P22607 2/20 0.49
CYP1A2 P05177 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
AAK1 Q2M2I8 1/20 0.47

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
SCHEMBL4491013 0.94 HDAC6 (0.59) HDAC6GSK3BGSK3AFGFR1FGFR2
SCHEMBL4485957 0.93 HDAC6 (0.53) HDAC6GSK3BGSK3AFGFR1FGFR2
SCHEMBL4500056 0.89 HDAC6 (0.55) HDAC6GSK3BGSK3AFGFR1FGFR2
SCHEMBL4489919 0.89 HDAC6 (0.54) HDAC6GSK3BGSK3AFGFR1FGFR2
SCHEMBL4480304 0.87 HDAC6 (0.59) HDAC6GSK3BGSK3AFGFR1FGFR2
SCHEMBL4490307 0.87 HDAC6 (0.57) HDAC6GSK3BGSK3AFGFR1FGFR2
SCHEMBL4488340 0.87 HDAC6 (0.66) HDAC6GSK3BGSK3AFGFR1FGFR2
SCHEMBL4493867 0.86 HDAC6 (0.60) HDAC6FGFR1FGFR2FGFR3
SCHEMBL4481624 0.85 HDAC6 (0.56) HDAC6GSK3BGSK3AFGFR1FGFR2
SCHEMBL4496804 0.85 HDAC6 (0.52) HDAC6GSK3BGSK3AFGFR1FGFR2

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