SCHEMBL24968934

SCHEMBL24968934

COc1ncc([C@H]2CCCC2OCCC(=O)O)cc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 9/20 0.35
PIK3CA P42336 6/20 0.35
TACR1 P25103 1/20 0.34
RIPK1 Q13546 4/20 0.33
KCNK3 O14649 1/20 0.33
PIK3CB P42338 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
CFTR P13569 1/20 0.33
CETP P11597 1/20 0.32
S1PR1 P21453 1/20 0.32
SSTR4 P31391 1/20 0.32
HTR2B P41595 1/20 0.32
PIK3CG P48736 1/20 0.32
PRKDC P78527 1/20 0.32
PDE4D Q08499 1/20 0.32

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
SCHEMBL27233855 1.00 PIK3CD (0.35) PIK3CDPIK3CATACR1RIPK1KCNK3
SCHEMBL24968338 1.00 PIK3CD (0.35) PIK3CDPIK3CATACR1RIPK1KCNK3
SCHEMBL24968933 0.91 PIK3CD (0.34) PIK3CDPIK3CARIPK1KCNK3PIK3CB
SCHEMBL24968341 0.91 PIK3CD (0.34) PIK3CDPIK3CARIPK1KCNK3PIK3CB
SCHEMBL24968383 0.90 TACR1 (0.35) PIK3CDPIK3CATACR1RIPK1KCNK3
SCHEMBL24968385 0.82 CYP11B1 (0.36) PIK3CDPIK3CATACR1RIPK1KCNK3
SCHEMBL24968936 0.81 TIPARP (0.47)
SCHEMBL27233713 0.81 TIPARP (0.47)
SCHEMBL24968337 0.77 AR (0.45) PIK3CDPIK3CAPIK3CB
SCHEMBL24968932 0.77 AR (0.45) PIK3CDPIK3CAPIK3CB

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
WO-2023006013-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF 上海齐鲁制药研究中心有限公司 2023-02-02 WO disclosed