SCHEMBL4484072

SCHEMBL4484072

O=C(CC1CCCC1)Nc1n[nH]c2cc(-c3cccc(F)c3)ccc12

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.70
GSK3A P49840 2/20 0.70
AAK1 Q2M2I8 8/20 0.64
ACHE P22303 3/20 0.60
CYP1A2 P05177 1/20 0.57
GAK O14976 1/20 0.54
STK16 O75716 1/20 0.54
BMP2K Q9NSY1 1/20 0.54
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC8 Q9BY41 1/20 0.52

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
SCHEMBL4483041 0.91 GSK3B (0.67) GSK3BGSK3AAAK1ACHECYP1A2
SCHEMBL4500329 0.90 GSK3B (0.68) GSK3BGSK3AAAK1CYP1A2GAK
SCHEMBL4479320 0.88 AAK1 (0.64) GSK3BGSK3AAAK1ACHECYP1A2
SCHEMBL4502834 0.86 GSK3B (0.70) GSK3BGSK3AAAK1ACHECYP1A2
SCHEMBL4480795 0.86 AAK1 (0.61) GSK3BGSK3AAAK1ACHECYP1A2
SCHEMBL4483758 0.85 HDAC1 (0.67) GSK3BGSK3AAAK1ACHEHDAC1
SCHEMBL4476051 0.85 GSK3B (0.91) GSK3BGSK3AAAK1GAKSTK16
SCHEMBL4493309 0.85 HDAC6 (0.63) GSK3BGSK3AAAK1ACHEGAK
SCHEMBL4486080 0.84 GSK3B (0.66) GSK3BGSK3AAAK1ACHECYP1A2
SCHEMBL4506175 0.84 AAK1 (0.58) GSK3BGSK3AAAK1ACHE

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