SCHEMBL4499175

SCHEMBL4499175

O=C(Nc1n[nH]c2cc(-c3ccccc3F)ccc12)c1c(F)ccc(F)c1F

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.70
HDAC1 Q13547 1/20 0.61
HDAC2 Q92769 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
GSK3B P49841 4/20 0.53
FGFR4 P22455 4/20 0.51
FGFR1 P11362 3/20 0.51
FGFR2 P21802 3/20 0.51
FGFR3 P22607 3/20 0.51
PLK4 O00444 1/20 0.50
MAPK13 O15264 1/20 0.50
DAPK3 O43293 1/20 0.50
PRKD3 O94806 1/20 0.50
MAP4K4 O95819 1/20 0.50
CDK1 P06493 1/20 0.50
PIM1 P11309 1/20 0.50
CDK2 P24941 1/20 0.50
MARK3 P27448 1/20 0.50
FLT4 P35916 1/20 0.50
MAPK8 P45983 1/20 0.50

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
SCHEMBL4491427 0.91 HDAC6 (0.58) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL4496487 0.89 GSK3B (0.67) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL4492534 0.88 GSK3B (0.58) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL4559632 0.88 HDAC6 (0.56) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL4489306 0.86 HDAC6 (0.57) HDAC6GSK3BFGFR1FGFR2FGFR3
SCHEMBL4500068 0.85 HDAC6 (0.55) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL4502956 0.85 HDAC6 (0.74) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL4495347 0.85 GSK3B (0.65) HDAC6GSK3BFGFR1FGFR2FGFR3
SCHEMBL4500708 0.85 GSK3B (0.67) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL4487681 0.85 HDAC6 (0.80) 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