SCHEMBL4500329

SCHEMBL4500329

O=C(CCC1CCCC1)Nc1n[nH]c2cc(-c3cccc(F)c3)ccc12

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 12/20 0.68
GSK3A P49840 2/20 0.68
CYP1A2 P05177 2/20 0.60
HDAC1 Q13547 3/20 0.55
HDAC2 Q92769 3/20 0.55
HDAC8 Q9BY41 3/20 0.55
AAK1 Q2M2I8 4/20 0.53
GAK O14976 1/20 0.53
STK16 O75716 1/20 0.53
BMP2K Q9NSY1 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
SCHEMBL4487872 0.91 GSK3B (0.71) GSK3BGSK3ACYP1A2HDAC1HDAC2
SCHEMBL4484072 0.90 GSK3B (0.70) GSK3BGSK3ACYP1A2HDAC1HDAC2
SCHEMBL4479144 0.90 GSK3B (0.71) GSK3BGSK3ACYP1A2HDAC1HDAC2
SCHEMBL4505382 0.87 CYP1A2 (0.58) GSK3BGSK3ACYP1A2HDAC1HDAC2
SCHEMBL4504357 0.87 GSK3B (0.68) GSK3BGSK3ACYP1A2HDAC1HDAC2
SCHEMBL4498585 0.86 GSK3B (0.64) GSK3BGSK3AHDAC1HDAC2HDAC8
SCHEMBL4502352 0.86 HDAC1 (0.70) GSK3BGSK3ACYP1A2HDAC1HDAC2
SCHEMBL4485453 0.85 HDAC1 (0.68) GSK3BGSK3ACYP1A2HDAC1HDAC2
SCHEMBL4503133 0.85 GSK3B (0.70) GSK3BGSK3ACYP1A2HDAC1HDAC2
SCHEMBL4486136 0.84 GSK3B (0.54) GSK3BCYP1A2HDAC1HDAC2HDAC8

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