SCHEMBL19987093

SCHEMBL19987093

CC(C)(O)CCNCc1ccc2ncc(-c3cccc(OC(F)(F)F)c3)n2n1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 13/20 0.74
DYRK1A Q13627 6/20 0.57
FYN P06241 1/20 0.53

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
SCHEMBL102851 0.85 PIM1 (1.00) PIM1
SCHEMBL102616 0.81 PIM1 (1.00) PIM1DYRK1A
SCHEMBL102542 0.79 PIM1 (1.00) PIM1
SCHEMBL15699138 0.76 DYRK1A (0.76) PIM1DYRK1AFYN
SCHEMBL19987042 0.76 PIM1 (0.76) PIM1DYRK1AFYN
SCHEMBL13867484 0.76 PIM1 (0.87) PIM1DYRK1A
SCHEMBL2948807 0.76 PIM1 (1.00) PIM1FYN
SCHEMBL102421 0.75 DYRK1A (0.91) PIM1DYRK1AFYN
SCHEMBL23299250 0.75 PIM1 (0.81) PIM1
SCHEMBL29436156 0.74 DYRK1A (0.73) PIM1DYRK1A

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
EP-2734205-B1 HETEROCYCLIC PROTEIN KINASE INHIBITORS TOLERO PHARMACEUTICALS INC (US) 2018-03-21 EP disclosed