SCHEMBL4493014

SCHEMBL4493014

Cc1cccc(C)c1-c1ccc2c(NC(=O)C(C)Oc3ccccc3)n[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HDAC6 Q9UBN7 4/20 0.52
FGFR1 P11362 2/20 0.50
FGFR2 P21802 2/20 0.50
FGFR3 P22607 2/20 0.50
ADORA3 P0DMS8 6/20 0.49
ADORA2A P29274 6/20 0.49
GSK3B P49841 3/20 0.47
ADORA1 P30542 2/20 0.47
GSK3A P49840 1/20 0.46
AAK1 Q2M2I8 1/20 0.45
HDAC1 Q13547 3/20 0.45
HDAC2 Q92769 3/20 0.45
HDAC8 Q9BY41 3/20 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
SCHEMBL4490306 0.89 HDAC6 (0.52) MAPK1SMN1; SMN2HDAC6FGFR1FGFR2
SCHEMBL4496312 0.89 GSK3B (0.60) HDAC6FGFR1FGFR2FGFR3ADORA3
SCHEMBL4503245 0.88 ADORA3 (0.62) HDAC6FGFR1FGFR2FGFR3ADORA3
SCHEMBL4490547 0.88 GSK3B (0.58) MAPK1SMN1; SMN2HDAC6FGFR1FGFR2
SCHEMBL4495236 0.86 HDAC6 (0.63) HDAC6FGFR1FGFR2FGFR3ADORA3
SCHEMBL4483701 0.86 HDAC6 (0.55) MAPK1SMN1; SMN2HDAC6FGFR1FGFR2
SCHEMBL4484485 0.85 ADORA3 (0.49) MAPK1SMN1; SMN2HDAC6FGFR1FGFR2
SCHEMBL4559708 0.85 ADORA3 (0.58) HDAC6FGFR1FGFR2FGFR3ADORA3
SCHEMBL4485505 0.85 GSK3B (0.59) HDAC6FGFR1FGFR2FGFR3ADORA3
SCHEMBL4493797 0.85 AAK1 (0.58) MAPK1HDAC6GSK3BGSK3AAAK1

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