SCHEMBL4494101

SCHEMBL4494101

CC(=O)c1ccc(-c2ccc3c(NC(=O)c4ccco4)n[nH]c3c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 14/20 0.57
FGFR1 P11362 1/20 0.55
FGFR2 P21802 1/20 0.55
FGFR3 P22607 1/20 0.55
CDK2 P24941 1/20 0.53
GSK3A P49840 1/20 0.53
APOBEC3G Q9HC16 1/20 0.51
GSK3B P49841 1/20 0.50
MAPK1 P28482 1/20 0.49
AAK1 Q2M2I8 1/20 0.49

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
SCHEMBL4502571 0.92 MAPK1 (0.55) HDAC6FGFR1FGFR2FGFR3CDK2
SCHEMBL4494227 0.89 HDAC6 (0.65) HDAC6FGFR1FGFR2FGFR3CDK2
SCHEMBL4490916 0.87 GSK3B (0.59) HDAC6FGFR1FGFR2FGFR3CDK2
SCHEMBL4488599 0.86 HDAC6 (0.66) HDAC6FGFR1FGFR2FGFR3CDK2
SCHEMBL4492652 0.86 MAPK1 (0.55) HDAC6FGFR1FGFR2FGFR3CDK2
SCHEMBL4496168 0.86 GSK3B (0.62) HDAC6FGFR1FGFR2FGFR3CDK2
SCHEMBL4497998 0.86 HDAC6 (0.65) HDAC6FGFR1FGFR2FGFR3CDK2
SCHEMBL4480839 0.86 MAPT (0.60) HDAC6FGFR1FGFR2FGFR3CDK2
SCHEMBL4495755 0.85 HDAC6 (0.55) HDAC6FGFR1FGFR2FGFR3CDK2
SCHEMBL4498134 0.84 GSK3B (0.60) HDAC6FGFR1FGFR2FGFR3CDK2

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