SCHEMBL4485659

SCHEMBL4485659

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

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 14/20 0.75
KCNQ3 O43525 1/20 0.54
KCNQ2 O43526 1/20 0.54
HDAC1 Q13547 3/20 0.53
HDAC2 Q92769 3/20 0.53
HDAC8 Q9BY41 3/20 0.53
CYP1A2 P05177 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51

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
SCHEMBL4498585 0.92 GSK3B (0.64) GSK3BKCNQ3KCNQ2HDAC1HDAC2
SCHEMBL4505755 0.89 HDAC1 (0.68) GSK3BHDAC1HDAC2HDAC8HDAC6
SCHEMBL4487872 0.87 GSK3B (0.71) GSK3BHDAC1HDAC2HDAC8CYP1A2
SCHEMBL4479144 0.86 GSK3B (0.71) GSK3BHDAC1HDAC2HDAC8CYP1A2
SCHEMBL1461479 0.86 GSK3B (1.00) GSK3BCYP1A2
SCHEMBL4488133 0.85 GSK3B (0.67) GSK3BHDAC1HDAC2HDAC8
SCHEMBL4503133 0.85 GSK3B (0.70) GSK3BHDAC1HDAC2HDAC8CYP1A2
SCHEMBL4493309 0.83 HDAC6 (0.63) GSK3BHDAC1HDAC2HDAC8HDAC6
SCHEMBL4492678 0.83 GSK3B (0.67) GSK3BHDAC1HDAC2HDAC8
SCHEMBL4503403 0.83 GSK3B (0.70) GSK3BHDAC1HDAC2HDAC8

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