SCHEMBL21908773

SCHEMBL21908773

COC(=O)C1(C)CC(N)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
RORC P51449 7/20 0.37
NR1H2 P55055 1/20 0.37
JAK1 P23458 1/20 0.36
PDE4B Q07343 1/20 0.35
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EPHX1 P07099 1/20 0.35
HSD11B1 P28845 1/20 0.34
KDM1A O60341 1/20 0.34
HPGD P15428 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
SCHEMBL18210065 0.86 RORC (0.40) EPHX2RORCNR1H2JAK1USP2
SCHEMBL2217516 0.86 RORC (0.40) EPHX2RORCNR1H2JAK1USP2
SCHEMBL31603740 0.84 EPHX2 (0.39) EPHX2RORCNR1H2JAK1PDE4B
SCHEMBL21811733 0.81 MMP2 (0.30)
SCHEMBL24087434 0.81 NR1H2 (0.41) EPHX2RORCNR1H2JAK1USP2
SCHEMBL27171881 0.81 NR1H2 (0.41) EPHX2RORCNR1H2JAK1USP2
SCHEMBL24695414 0.81 NR1H2 (0.41) EPHX2RORCNR1H2JAK1USP2
SCHEMBL2278303 0.81 USP2 (0.43) EPHX2RORCNR1H2USP2SMN1; SMN2
SCHEMBL12991777 0.78 HSD11B1 (0.37) EPHX2RORCNR1H2EPHX1HSD11B1
SCHEMBL23807876 0.77 EPHX2 (0.42) EPHX2RORCNR1H2USP2SMN1; SMN2

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
CN-112739420-A Phenoxy-pyridyl-pyrimidine compounds and methods of use 基因泰克公司 2021-04-30 CN disclosed
WO-2020056089-A1 PHENOXY-PYRIDYL-PYRIMIDINE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2020-03-19 WO disclosed