SCHEMBL4489751

SCHEMBL4489751

Cc1cccc(-c2ccc3c(NC(=O)c4cccc(F)c4)n[nH]c3c2)c1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 13/20 0.61
GSK3B P49841 2/20 0.61
GSK3A P49840 1/20 0.61
FGFR1 P11362 2/20 0.58
FGFR2 P21802 2/20 0.58
FGFR3 P22607 2/20 0.58
CDK7 P50613 1/20 0.53
AAK1 Q2M2I8 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
SCHEMBL4485646 0.94 HDAC6 (0.70) HDAC6GSK3BGSK3AFGFR1FGFR2
SCHEMBL4500503 0.89 FGFR2 (0.58) HDAC6GSK3BGSK3AFGFR1FGFR2
SCHEMBL4498043 0.89 GSK3B (0.61) HDAC6GSK3BGSK3AFGFR1FGFR2
SCHEMBL4491728 0.87 FGFR1 (0.61) HDAC6GSK3BGSK3AFGFR1FGFR2
SCHEMBL4480304 0.87 HDAC6 (0.59) HDAC6GSK3BGSK3AFGFR1FGFR2
SCHEMBL4492891 0.87 HDAC6 (0.70) HDAC6FGFR1FGFR2FGFR3CDK7
SCHEMBL4558929 0.87 HDAC6 (0.74) HDAC6GSK3BGSK3AFGFR1FGFR2
SCHEMBL4490307 0.87 HDAC6 (0.57) HDAC6GSK3BGSK3AFGFR1FGFR2
SCHEMBL4503270 0.85 GSK3B (0.56) HDAC6GSK3BGSK3AFGFR1FGFR2
SCHEMBL4483456 0.85 HDAC6 (0.61) 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