SCHEMBL4483041

SCHEMBL4483041

O=C(CC1CCCC1)Nc1n[nH]c2cc(-c3ccc(F)cc3)ccc12

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 13/20 0.67
ACHE P22303 3/20 0.63
AAK1 Q2M2I8 4/20 0.59
CYP1A2 P05177 1/20 0.57
GSK3A P49840 3/20 0.56
PIK3CD O00329 1/20 0.55
PIM1 P11309 1/20 0.55
CDK2 P24941 1/20 0.55

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
SCHEMBL4484072 0.91 GSK3B (0.70) GSK3BACHEAAK1CYP1A2GSK3A
SCHEMBL4487872 0.89 GSK3B (0.71) GSK3BAAK1CYP1A2GSK3APIK3CD
SCHEMBL4486080 0.89 GSK3B (0.66) GSK3BACHEAAK1CYP1A2GSK3A
SCHEMBL4502834 0.89 GSK3B (0.70) GSK3BACHEAAK1CYP1A2GSK3A
SCHEMBL4480696 0.87 AAK1 (0.57) GSK3BACHEAAK1CYP1A2GSK3A
SCHEMBL4503278 0.86 GSK3B (0.70) GSK3BACHEAAK1GSK3APIK3CD
SCHEMBL4491749 0.86 HDAC1 (0.64) GSK3BAAK1
SCHEMBL4504576 0.86 GSK3B (0.68) GSK3BACHEAAK1GSK3APIK3CD
SCHEMBL4485536 0.86 HDAC6 (0.58) GSK3BACHEAAK1CYP1A2GSK3A
SCHEMBL4499787 0.85 HDAC6 (0.64) GSK3BACHEAAK1CYP1A2GSK3A

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