SCHEMBL28664221

SCHEMBL28664221

CC(C)(C)OC(=O)N1CCC(Oc2cnccn2)C1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.57
PIK3CD O00329 8/20 0.53
PIK3CA P42336 2/20 0.49
EPHX2 P34913 1/20 0.47

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
SCHEMBL28664219 1.00 GPR119 (0.57) GPR119PIK3CDPIK3CAEPHX2
SCHEMBL2775708 0.93 GPR119 (0.62) GPR119EPHX2
SCHEMBL2997553 0.90 GPR119 (0.52) GPR119PIK3CDPIK3CAEPHX2
SCHEMBL26665862 0.82 GPR119 (0.57) GPR119PIK3CDPIK3CA
SCHEMBL26665866 0.82 GPR119 (0.57) GPR119PIK3CDPIK3CA
SCHEMBL26180089 0.82 GPR119 (0.57) GPR119PIK3CDPIK3CA
SCHEMBL20179635 0.82 GPR119 (0.57) GPR119PIK3CDPIK3CA
SCHEMBL29756681 0.82 GPR119 (0.57) GPR119PIK3CDPIK3CA
SCHEMBL20137677 0.82 EPHX2 (0.55) EPHX2
SCHEMBL20137678 0.82 EPHX2 (0.55) EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110177786-B Substituted pyrazolo [1,5-A ] pyridine compounds as RET kinase inhibitors 阿雷生物药品公司 2021-12-14 CN disclosed