SCHEMBL4500909

SCHEMBL4500909

CC(=O)Nc1n[nH]c2cc(-c3cc(C)cc(C)c3)ccc12

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.70
DYRK1A Q13627 1/20 0.63
FGFR4 P22455 1/20 0.60
GSK3B P49841 13/20 0.58
AAK1 Q2M2I8 3/20 0.57
CYP1A2 P05177 1/20 0.55
GSK3A P49840 2/20 0.52
PIK3CD O00329 1/20 0.52
PIM1 P11309 1/20 0.52
CDK2 P24941 1/20 0.52
FGFR1 P11362 1/20 0.51
FGFR2 P21802 1/20 0.51
FGFR3 P22607 1/20 0.51

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
SCHEMBL4499397 0.90 GSK3B (0.70) HDAC6DYRK1AGSK3BAAK1GSK3A
SCHEMBL4499351 0.86 DYRK1A (0.63) HDAC6DYRK1AGSK3BAAK1CYP1A2
SCHEMBL4495082 0.86 HDAC6 (0.66) HDAC6DYRK1AFGFR4GSK3BAAK1
SCHEMBL4487525 0.85 GSK3B (0.73) HDAC6DYRK1AGSK3BAAK1GSK3A
SCHEMBL4502153 0.85 AAK1 (0.74) HDAC6GSK3BAAK1GSK3APIK3CD
SCHEMBL13524671 0.84 DYRK1A (0.71) HDAC6DYRK1AGSK3BAAK1
SCHEMBL4491542 0.84 HDAC6 (0.61) HDAC6FGFR4GSK3BCYP1A2
SCHEMBL4491401 0.84 GSK3B (0.73) DYRK1AGSK3BAAK1CYP1A2GSK3A
SCHEMBL4487032 0.84 HDAC6 (0.64) HDAC6FGFR4GSK3BCYP1A2
SCHEMBL4487011 0.83 AAK1 (0.67) HDAC6GSK3BAAK1GSK3APIK3CD

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