SCHEMBL625514

SCHEMBL625514

C[S+]([O-])c1nn2c(-c3cccc(OC(F)(F)F)c3)cnc2s1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 12/20 0.52
PIM1 P11309 6/20 0.49
FYN P06241 2/20 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
SCHEMBL625573 0.80 DYRK1A (0.54) DYRK1APIM1FYN
SCHEMBL28944695 0.80 DYRK1A (0.54) DYRK1APIM1FYN
SCHEMBL624076 0.78 DYRK1A (0.53) DYRK1APIM1FYN
SCHEMBL624844 0.77 PIM1 (0.52) DYRK1APIM1FYN
SCHEMBL625515 0.77 F2RL3 (0.50) DYRK1A
SCHEMBL3542403 0.76 DYRK1A (0.56) DYRK1APIM1FYN
SCHEMBL1945252 0.76 DYRK1A (0.52) DYRK1APIM1FYN
SCHEMBL1946610 0.75 FYN (0.64) DYRK1APIM1FYN
SCHEMBL1944083 0.74 PIM1 (0.57) DYRK1APIM1FYN
SCHEMBL1945068 0.74 DYRK1A (0.55) DYRK1APIM1FYN

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-2012020217-A1 AMINO- IMIDAZOLOTHIADIAZOLES FOR USE AS PROTEIN OR LIPID KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-02-16 WO disclosed