SCHEMBL4480111

SCHEMBL4480111

O=C(Nc1n[nH]c2cc(-c3ccsc3)ccc12)c1ccc(F)cc1F

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.61
GSK3A P49840 2/20 0.61
CDK2 P24941 1/20 0.61
CYP1A2 P05177 2/20 0.60
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 9/20 0.48
FGFR1 P11362 1/20 0.46
FGFR2 P21802 1/20 0.46
FGFR3 P22607 1/20 0.46
FGFR4 P22455 2/20 0.44

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
SCHEMBL4493662 0.88 GSK3B (0.63) GSK3BGSK3ACDK2CYP1A2HDAC6
SCHEMBL4492586 0.86 GSK3B (0.58) GSK3BGSK3ACYP1A2HDAC6FGFR1
SCHEMBL4483422 0.85 HDAC6 (0.62) GSK3BGSK3ACYP1A2HDAC1HDAC2
SCHEMBL4489170 0.85 GSK3B (0.66) GSK3BGSK3ACYP1A2HDAC6FGFR1
SCHEMBL4499750 0.83 HDAC6 (0.64) GSK3BGSK3ACYP1A2HDAC6FGFR1
SCHEMBL4483627 0.83 GSK3B (0.54) GSK3BGSK3ACYP1A2HDAC6FGFR1
SCHEMBL4491058 0.83 HDAC6 (0.58) GSK3BGSK3ACYP1A2HDAC6FGFR1
SCHEMBL4495002 0.83 GSK3B (0.69) GSK3BGSK3ACYP1A2HDAC1HDAC2
SCHEMBL4494510 0.83 FGFR4 (0.64) GSK3BGSK3ACDK2CYP1A2HDAC6
SCHEMBL4497843 0.82 GSK3B (0.56) GSK3BGSK3ACYP1A2HDAC6FGFR1

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