SCHEMBL4489324

SCHEMBL4489324

CC(Oc1ccccc1)C(=O)Nc1n[nH]c2cc(-c3ccc(OC(F)(F)F)cc3)ccc12

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.64
HDAC6 Q9UBN7 6/20 0.55
FGFR4 P22455 2/20 0.52
MAPK1 P28482 1/20 0.49
GSK3A P49840 1/20 0.48
FGFR1 P11362 2/20 0.48
FGFR2 P21802 2/20 0.48
FGFR3 P22607 2/20 0.48
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC8 Q9BY41 2/20 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
SCHEMBL4493674 0.94 HDAC6 (0.64) GSK3BHDAC6FGFR4GSK3AFGFR1
SCHEMBL4496312 0.90 GSK3B (0.60) GSK3BHDAC6GSK3AFGFR1FGFR2
SCHEMBL4505011 0.88 HDAC6 (0.59) GSK3BHDAC6FGFR4GSK3AFGFR1
SCHEMBL4503333 0.88 GSK3B (0.58) GSK3BHDAC6GSK3AFGFR1FGFR2
SCHEMBL4490547 0.87 GSK3B (0.58) GSK3BHDAC6MAPK1GSK3AFGFR1
SCHEMBL4494209 0.87 GSK3B (0.72) GSK3BHDAC6FGFR4MAPK1HDAC1
SCHEMBL4497946 0.86 GSK3B (0.53) GSK3BHDAC6FGFR4MAPK1GSK3A
SCHEMBL4487636 0.85 HDAC6 (0.52) GSK3BHDAC6GSK3AFGFR1FGFR2
SCHEMBL4494179 0.85 HDAC6 (0.56) GSK3BHDAC6GSK3AFGFR1FGFR2
SCHEMBL4494004 0.85 GSK3B (0.59) GSK3BHDAC6FGFR4GSK3AFGFR1

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