SCHEMBL4494622

SCHEMBL4494622

O=C(Nc1n[nH]c2cc(-c3cccc(Cl)c3)ccc12)c1ccc(F)cc1F

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 9/20 0.65
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
GSK3B P49841 4/20 0.56
GSK3A P49840 1/20 0.56
FGFR4 P22455 4/20 0.49
FGFR1 P11362 1/20 0.48
FGFR2 P21802 1/20 0.48
FGFR3 P22607 1/20 0.48

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
SCHEMBL4489170 0.92 GSK3B (0.66) HDAC6GSK3BGSK3AFGFR4FGFR1
SCHEMBL4491058 0.90 HDAC6 (0.58) HDAC6GSK3BGSK3AFGFR1FGFR2
SCHEMBL4488440 0.90 HDAC6 (0.67) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL4483422 0.89 HDAC6 (0.62) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL4492586 0.88 GSK3B (0.58) HDAC6GSK3BGSK3AFGFR4FGFR1
SCHEMBL4493662 0.88 GSK3B (0.63) HDAC6GSK3BGSK3AFGFR1FGFR2
SCHEMBL4503270 0.88 GSK3B (0.56) HDAC6GSK3BGSK3AFGFR4FGFR1
SCHEMBL4480650 0.86 GSK3B (0.54) HDAC6GSK3BGSK3AFGFR1FGFR2
SCHEMBL4488442 0.86 HDAC6 (0.65) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL4558929 0.85 HDAC6 (0.74) HDAC6HDAC1HDAC2HDAC8GSK3B

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