SCHEMBL4480795

SCHEMBL4480795

CC(=O)c1cccc(-c2ccc3c(NC(=O)CC4CCCC4)n[nH]c3c2)c1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 9/20 0.61
NPC1 O15118 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
GSK3B P49841 5/20 0.54
ACHE P22303 3/20 0.54
GSK3A P49840 2/20 0.53
CYP1A2 P05177 1/20 0.50
MAPK1 P28482 1/20 0.49
FGFR1 P11362 1/20 0.49
FGFR2 P21802 1/20 0.49
FGFR3 P22607 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
SCHEMBL4480696 0.91 AAK1 (0.57) AAK1GSK3BACHEGSK3ACYP1A2
SCHEMBL4505382 0.90 CYP1A2 (0.58) AAK1GSK3BGSK3ACYP1A2
SCHEMBL4479320 0.88 AAK1 (0.64) AAK1GSK3BACHEGSK3ACYP1A2
SCHEMBL4484072 0.86 GSK3B (0.70) AAK1GSK3BACHEGSK3ACYP1A2
SCHEMBL4495269 0.86 AAK1 (0.75) AAK1GSK3BGSK3A
SCHEMBL4483758 0.85 HDAC1 (0.67) AAK1GSK3BACHEGSK3AFGFR1
SCHEMBL4486080 0.85 GSK3B (0.66) AAK1GSK3BACHEGSK3ACYP1A2
SCHEMBL4506175 0.84 AAK1 (0.58) AAK1GSK3BACHEGSK3AMAPK1
SCHEMBL4491665 0.84 HDAC1 (0.67) AAK1GSK3BACHEFGFR1FGFR2
SCHEMBL4483544 0.84 AAK1 (0.75) AAK1GSK3BGSK3A

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