SCHEMBL20524296

SCHEMBL20524296

COC(=O)C1CC1c1c[nH]nc1C1CCCCO1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.33
CFTR P13569 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM3 P20309 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
MAPK8 P45983 1/20 0.30
MAPK9 P45984 1/20 0.30
MAPK10 P53779 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
SCHEMBL20524364 0.87 PRKAG1 (0.31)
SCHEMBL29218326 0.70 IRAK4 (0.35) CFTR
SCHEMBL27248736 0.67 GHSR (0.31) CFTR
SCHEMBL21001854 0.67 MAPK8 (0.30) MAPK8MAPK9MAPK10
SCHEMBL3469250 0.67 MAPK8 (0.30) MAPK8MAPK9MAPK10
SCHEMBL17713790 0.67 PRKAG1 (0.31)
SCHEMBL28881758 0.66 ALDH1A1 (0.31)
SCHEMBL17020281 0.66 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3CHRM2CHRM4
SCHEMBL17008339 0.66 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3CHRM2CHRM4
SCHEMBL20524328 0.66 KDM4E (0.33)

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