SCHEMBL4495985

SCHEMBL4495985

O=C(Nc1n[nH]c2cc(-c3ccc(F)c(F)c3)ccc12)c1ccco1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 3/20 0.54
CDK2 P24941 1/20 0.54
HDAC6 Q9UBN7 8/20 0.53
ALDH1A1 P00352 1/20 0.53
RAB9A P51151 1/20 0.53
TRPA1 O75762 1/20 0.53
FGFR1 P11362 1/20 0.51
FGFR2 P21802 1/20 0.51
FGFR3 P22607 1/20 0.51
GSK3B P49841 5/20 0.48
MAPK1 P28482 1/20 0.48
CYP1A2 P05177 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
SCHEMBL4490916 0.90 GSK3B (0.59) GSK3ACDK2HDAC6RAB9AFGFR1
SCHEMBL4494227 0.88 HDAC6 (0.65) GSK3ACDK2HDAC6FGFR1FGFR2
SCHEMBL4482462 0.88 GSK3B (0.63) GSK3ACDK2HDAC6FGFR1FGFR2
SCHEMBL4494277 0.87 HDAC6 (0.68) GSK3ACDK2HDAC6ALDH1A1RAB9A
SCHEMBL4495224 0.86 HDAC6 (0.67) GSK3ACDK2HDAC6ALDH1A1FGFR1
SCHEMBL4497998 0.85 HDAC6 (0.65) GSK3ACDK2HDAC6FGFR1FGFR2
SCHEMBL4480839 0.85 MAPT (0.60) GSK3ACDK2HDAC6RAB9AFGFR1
SCHEMBL4495755 0.84 HDAC6 (0.55) GSK3ACDK2HDAC6ALDH1A1RAB9A
SCHEMBL4494101 0.84 HDAC6 (0.57) GSK3ACDK2HDAC6FGFR1FGFR2
SCHEMBL4488599 0.83 HDAC6 (0.66) GSK3ACDK2HDAC6ALDH1A1RAB9A

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