SCHEMBL4489306

SCHEMBL4489306

O=C(Nc1n[nH]c2cc(-c3ccc(F)c(F)c3)ccc12)c1c(F)ccc(F)c1F

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.57
TRPA1 O75762 1/20 0.57
FGFR1 P11362 1/20 0.52
FGFR2 P21802 1/20 0.52
FGFR3 P22607 1/20 0.52
GSK3B P49841 7/20 0.52
CYP1A2 P05177 1/20 0.50
GSK3A P49840 3/20 0.49
PIK3CD O00329 1/20 0.47
PIM1 P11309 1/20 0.47
CDK2 P24941 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
SCHEMBL4497997 0.91 HDAC6 (0.57) HDAC6TRPA1FGFR1FGFR2FGFR3
SCHEMBL4490063 0.90 HDAC6 (0.60) HDAC6FGFR1FGFR2FGFR3GSK3B
SCHEMBL4495347 0.89 GSK3B (0.65) HDAC6FGFR1FGFR2FGFR3GSK3B
SCHEMBL4496068 0.89 HDAC6 (0.65) HDAC6TRPA1FGFR1FGFR2FGFR3
SCHEMBL4502510 0.88 HDAC6 (0.67) HDAC6FGFR1FGFR2FGFR3GSK3B
SCHEMBL4487610 0.88 HDAC6 (0.56) HDAC6FGFR1FGFR2FGFR3GSK3B
SCHEMBL4480610 0.87 HDAC6 (0.54) HDAC6FGFR1FGFR2FGFR3GSK3B
SCHEMBL4504223 0.87 GSK3B (0.62) HDAC6FGFR1FGFR2FGFR3GSK3B
SCHEMBL4488965 0.87 HDAC6 (0.53) HDAC6FGFR1FGFR2FGFR3GSK3B
SCHEMBL4486307 0.87 GSK3B (0.60) HDAC6FGFR1FGFR2FGFR3GSK3B

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