SCHEMBL20525136

SCHEMBL20525136

Cc1n[nH]c(C(C)C)c1Br

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
DYRK1A Q13627 1/20 0.33

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
SCHEMBL12465346 0.75 DYRK1A (0.48) DYRK1A
SCHEMBL19655025 0.73 DYRK1A (0.35) DYRK1A
SCHEMBL18626430 0.71 DYRK1A (0.33) DYRK1A
SCHEMBL21736948 0.71 DYRK1A (0.33) DYRK1A
SCHEMBL1559317 0.71 DYRK1A (0.33) DYRK1A
SCHEMBL2875683 0.69
SCHEMBL112351 0.69
SCHEMBL25971740 0.68 LMNA (0.33) DYRK1A
SCHEMBL27379492 0.66 PRKAB2 (0.36) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL22678620 0.66 PDE4D (0.39) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3601259-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 H. Hoffnabb-La Roche Ag (CH) 2020-02-05 EP disclosed
WO-2018183964-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 GENENTECH, INC. (US) 2018-10-04 WO disclosed