SCHEMBL4503971

SCHEMBL4503971

CC(=O)Nc1cccc(-c2ccc3c(NC(=O)N4CCC(C)CC4)n[nH]c3c2)c1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 17/20 0.71
LMNA P02545 1/20 0.53
GAK O14976 8/20 0.52
STK16 O75716 8/20 0.52
BMP2K Q9NSY1 8/20 0.52
GSK3A P49840 2/20 0.51
GSK3B P49841 2/20 0.51
RIOK3 O14730 1/20 0.50
PIP5K1C O60331 1/20 0.50
CDKL2 Q92772 1/20 0.50
RIOK1 Q9BRS2 1/20 0.50
MYLK2 Q9H1R3 1/20 0.50

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
SCHEMBL4491760 0.93 AAK1 (0.71) AAK1GAKSTK16BMP2KGSK3A
SCHEMBL4505247 0.89 AAK1 (0.68) AAK1GAKSTK16BMP2KGSK3A
SCHEMBL4492106 0.87 GSK3B (0.53) AAK1GAKSTK16BMP2KGSK3A
SCHEMBL4476288 0.85 HDAC1 (0.66) AAK1GSK3AGSK3B
SCHEMBL4497972 0.84 GSK3B (0.56) AAK1GSK3AGSK3B
SCHEMBL12886253 0.84 HDAC6 (0.58) AAK1GSK3AGSK3B
SCHEMBL12886070 0.84 AAK1 (0.50) AAK1GAKSTK16BMP2KGSK3A
SCHEMBL12886069 0.83 GSK3B (0.59) AAK1GAKSTK16BMP2KGSK3A
SCHEMBL4487348 0.82 HDAC6 (0.58) AAK1GSK3AGSK3B
SCHEMBL4482867 0.81 GSK3B (0.68) AAK1GSK3AGSK3B

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