SCHEMBL4495582

SCHEMBL4495582

O=C(Nc1n[nH]c2cc(-c3ccc(OC(F)(F)F)cc3)ccc12)c1ccc(F)cc1F

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.63
HDAC6 Q9UBN7 7/20 0.57
FGFR4 P22455 4/20 0.56
GSK3A P49840 1/20 0.47
TRPA1 O75762 1/20 0.47
FGFR1 P11362 1/20 0.47
FGFR2 P21802 1/20 0.47
FGFR3 P22607 1/20 0.47
CYP1A2 P05177 1/20 0.45

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
SCHEMBL4486351 0.92 HDAC6 (0.69) GSK3BHDAC6FGFR4GSK3AFGFR1
SCHEMBL4493662 0.89 GSK3B (0.63) GSK3BHDAC6GSK3AFGFR1FGFR2
SCHEMBL4503730 0.88 HDAC6 (0.65) GSK3BHDAC6FGFR4FGFR1FGFR2
SCHEMBL4496495 0.87 GSK3B (0.64) GSK3BHDAC6FGFR4TRPA1FGFR1
SCHEMBL4483422 0.86 HDAC6 (0.62) GSK3BHDAC6FGFR4GSK3AFGFR1
SCHEMBL4492586 0.84 GSK3B (0.58) GSK3BHDAC6FGFR4GSK3ATRPA1
SCHEMBL4489170 0.83 GSK3B (0.66) GSK3BHDAC6FGFR4GSK3AFGFR1
SCHEMBL4495376 0.83 GSK3B (0.64) GSK3BHDAC6FGFR4TRPA1FGFR1
SCHEMBL4497843 0.83 GSK3B (0.56) GSK3BHDAC6GSK3AFGFR1FGFR2
SCHEMBL4506208 0.83 GSK3B (0.64) GSK3BHDAC6FGFR4FGFR1FGFR2

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