SCHEMBL624950

SCHEMBL624950

COc1cncc(-c2cn3nc(N4CCC(C(=O)O)CC4)sc3n2)c1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPT P10636 18/20 0.56
THRB P10828 3/20 0.56
RXFP1 Q9HBX9 1/20 0.54
NEK2 P51955 1/20 0.48

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
SCHEMBL625664 0.91 MAPT (0.58) MAPTTHRBRXFP1
SCHEMBL624949 0.82 FYN (0.55) NEK2
SCHEMBL626698 0.77 CYP11B2 (0.52) MAPTTHRBRXFP1
SCHEMBL625663 0.74 FYN (0.56) MAPTTHRB
SCHEMBL1945185 0.71 FYN (0.58) MAPTTHRB
SCHEMBL1944169 0.71 FYN (0.53) MAPTTHRBRXFP1
SCHEMBL626106 0.71 THRB (0.49) MAPTTHRBRXFP1NEK2
SCHEMBL624431 0.70 FYN (0.48) MAPTTHRB
SCHEMBL2253571 0.70 FYN (0.52) MAPTTHRB
SCHEMBL625465 0.70 FYN (0.52) MAPTTHRB

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
WO-2012020215-A1 AMINO- IMIDAZOLOTHIADIAZOLES FOR USE AS PROTEIN OR LIPID KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-02-16 WO disclosed