SCHEMBL624844

SCHEMBL624844

CCSc1nn2c(-c3cccc(OC(F)(F)F)c3)cnc2s1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 8/20 0.52
DYRK1A Q13627 10/20 0.51
FYN P06241 2/20 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
SCHEMBL625573 0.88 DYRK1A (0.54) PIM1DYRK1AFYN
SCHEMBL28944695 0.79 DYRK1A (0.54) PIM1DYRK1AFYN
SCHEMBL624845 0.78 F2RL3 (0.52) DYRK1A
SCHEMBL624076 0.77 DYRK1A (0.53) PIM1DYRK1AFYN
SCHEMBL625514 0.77 DYRK1A (0.52) PIM1DYRK1AFYN
SCHEMBL1946610 0.76 FYN (0.64) PIM1DYRK1AFYN
SCHEMBL1944083 0.76 PIM1 (0.57) PIM1DYRK1AFYN
SCHEMBL3542403 0.75 DYRK1A (0.56) PIM1DYRK1AFYN
SCHEMBL1945252 0.75 DYRK1A (0.52) PIM1DYRK1AFYN
SCHEMBL1945624 0.74 FYN (0.63) PIM1DYRK1AFYN

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