SCHEMBL20524328

SCHEMBL20524328

O=C(O)/C=C/c1c[nH]nc1C1CCCCO1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.33
MGLL Q99685 1/20 0.32
PRKAG1 P54619 5/20 0.32
PRKAA1 Q13131 5/20 0.32
PRKAB1 Q9Y478 5/20 0.32
PRKAA2 P54646 4/20 0.32
PRKAB2 O43741 3/20 0.32
PRKAG3 Q9UGI9 3/20 0.32
PRKAG2 Q9UGJ0 3/20 0.32
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL28881758 0.81 ALDH1A1 (0.31) ALDH1A1
SCHEMBL21001992 0.78 IDO1 (0.43) ALDH1A1
SCHEMBL21002000 0.78 CA1 (0.35) KDM4EALDH1A1GAA
SCHEMBL29218326 0.73 IRAK4 (0.35) PRKAG1PRKAA1PRKAB1PRKAA2PRKAB2
SCHEMBL20525079 0.73 KDM4E (0.34) KDM4EMGLLPRKAG1PRKAA1PRKAB1
SCHEMBL20524364 0.71 PRKAG1 (0.31) PRKAG1PRKAA1PRKAB1PRKAA2PRKAB2
SCHEMBL21001880 0.71
SCHEMBL21001854 0.70 MAPK8 (0.30) PRKAG1PRKAA1PRKAB1PRKAA2PRKAB2
SCHEMBL17713790 0.70 PRKAG1 (0.31) PRKAG1PRKAA1PRKAB1PRKAA2PRKAB2
SCHEMBL3469250 0.70 MAPK8 (0.30) PRKAG1PRKAA1PRKAB1PRKAA2PRKAB2

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