SCHEMBL20524364

SCHEMBL20524364

O=C(O)C1CC1c1c[nH]nc1C1CCCCO1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 5/20 0.31
PRKAA1 Q13131 5/20 0.31
PRKAB1 Q9Y478 5/20 0.31
PRKAA2 P54646 4/20 0.31
PRKAB2 O43741 3/20 0.31
PRKAG3 Q9UGI9 3/20 0.31
PRKAG2 Q9UGJ0 3/20 0.31

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
SCHEMBL20524296 0.87 HSD11B1 (0.33)
SCHEMBL29218326 0.72 IRAK4 (0.35) PRKAG1PRKAA1PRKAB1PRKAA2PRKAB2
SCHEMBL20524328 0.71 KDM4E (0.33) PRKAG1PRKAA1PRKAB1PRKAA2PRKAB2
SCHEMBL21001854 0.69 MAPK8 (0.30) PRKAG1PRKAA1PRKAB1PRKAA2PRKAB2
SCHEMBL27248736 0.69 GHSR (0.31)
SCHEMBL17713790 0.69 PRKAG1 (0.31) PRKAG1PRKAA1PRKAB1PRKAA2PRKAB2
SCHEMBL3469250 0.69 MAPK8 (0.30) PRKAG1PRKAA1PRKAB1PRKAA2PRKAB2
SCHEMBL28881758 0.69 ALDH1A1 (0.31)
SCHEMBL21001880 0.68
SCHEMBL25293416 0.67 PLK1 (0.31)

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-3601284-A1 NAPHTHYRIDINES AS INHIBITORS OF HPK1 H. Hoffnabb-La Roche Ag (CH) 2020-02-05 EP disclosed
WO-2018183956-A1 NAPHTHYRIDINES AS INHIBITORS OF HPK1 GENENTECH, INC. (US) 2018-10-04 WO disclosed