SCHEMBL4487872

SCHEMBL4487872

O=C(CCC1CCCC1)Nc1n[nH]c2cc(-c3ccc(F)cc3)ccc12

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 18/20 0.71
CYP1A2 P05177 1/20 0.61
GSK3A P49840 3/20 0.54
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
PIK3CD O00329 1/20 0.53
PIM1 P11309 1/20 0.53
CDK2 P24941 1/20 0.53
AAK1 Q2M2I8 1/20 0.53

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
SCHEMBL4500329 0.91 GSK3B (0.68) GSK3BCYP1A2GSK3AHDAC1HDAC2
SCHEMBL4479144 0.91 GSK3B (0.71) GSK3BCYP1A2GSK3AHDAC1HDAC2
SCHEMBL4503133 0.90 GSK3B (0.70) GSK3BCYP1A2GSK3AHDAC1HDAC2
SCHEMBL4483041 0.89 GSK3B (0.67) GSK3BCYP1A2GSK3APIK3CDPIM1
SCHEMBL4504357 0.89 GSK3B (0.68) GSK3BCYP1A2GSK3AHDAC1HDAC2
SCHEMBL4485659 0.87 GSK3B (0.75) GSK3BCYP1A2HDAC1HDAC2HDAC8
SCHEMBL4505755 0.87 HDAC1 (0.68) GSK3BHDAC1HDAC2HDAC8
SCHEMBL4493654 0.87 GSK3B (0.74) GSK3BCYP1A2GSK3AHDAC1HDAC2
SCHEMBL4505746 0.87 GSK3B (0.71) GSK3BCYP1A2GSK3AHDAC1HDAC2
SCHEMBL4500078 0.87 GSK3B (0.57) GSK3BCYP1A2

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