SCHEMBL625664

SCHEMBL625664

COC(=O)C1CCN(c2nn3cc(-c4cncc(OC)c4)nc3s2)CC1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPT P10636 19/20 0.58
THRB P10828 3/20 0.58
RXFP1 Q9HBX9 1/20 0.55
TP53 P04637 1/20 0.47

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
SCHEMBL624950 0.91 MAPT (0.56) MAPTTHRBRXFP1
SCHEMBL625663 0.83 FYN (0.56) MAPTTHRB
SCHEMBL626106 0.79 THRB (0.49) MAPTTHRBRXFP1
SCHEMBL627055 0.76 MAPT (0.48) MAPTTHRBRXFP1
SCHEMBL626698 0.76 CYP11B2 (0.52) MAPTTHRBRXFP1TP53
SCHEMBL624949 0.74 FYN (0.55)
SCHEMBL1944169 0.73 FYN (0.53) MAPTTHRBRXFP1TP53
SCHEMBL1945185 0.73 FYN (0.58) MAPTTHRB
SCHEMBL624431 0.72 FYN (0.48) MAPTTHRB
SCHEMBL625465 0.71 FYN (0.52) MAPTTHRBTP53

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