SCHEMBL4494147

SCHEMBL4494147

COc1cccc(-c2ccc3c(NC(=O)NCCc4ccccn4)n[nH]c3c2)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.57
HDAC2 Q92769 7/20 0.57
HDAC8 Q9BY41 7/20 0.57
HDAC6 Q9UBN7 5/20 0.57
FGFR1 P11362 2/20 0.54
FGFR2 P21802 2/20 0.54
FGFR3 P22607 2/20 0.54
FGFR4 P22455 2/20 0.53
MAPK1 P28482 2/20 0.53
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
GSK3B P49841 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
SCHEMBL4485793 0.93 MAPK1 (0.54) HDAC1HDAC2HDAC8HDAC6FGFR1
SCHEMBL4490359 0.88 MAPK1 (0.55) HDAC1HDAC2HDAC8HDAC6FGFR1
SCHEMBL4495365 0.87 HDAC1 (0.61) HDAC1HDAC2HDAC8HDAC6FGFR1
SCHEMBL4492154 0.86 MAPK1 (0.56) HDAC1HDAC2HDAC8HDAC6FGFR1
SCHEMBL4499106 0.86 HDAC6 (0.58) HDAC1HDAC2HDAC8HDAC6FGFR1
SCHEMBL4480524 0.86 AAK1 (0.58) FGFR1FGFR2FGFR3MAPK1GSK3B
SCHEMBL12886200 0.85 MAPK1 (0.56) HDAC6FGFR1FGFR2FGFR3FGFR4
SCHEMBL4492950 0.85 HDAC1 (0.65) HDAC1HDAC2HDAC8HDAC6FGFR1
SCHEMBL4487384 0.84 HDAC1 (0.64) HDAC1HDAC2HDAC8HDAC6FGFR1
SCHEMBL12886132 0.84 MAPK1 (0.49) HDAC1HDAC2HDAC8HDAC6FGFR1

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