SCHEMBL22243273

SCHEMBL22243273

COc1cccc(Oc2ccc(-c3n[nH]c4ncnc(N)c34)cc2)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.41
PIK3CA P42336 6/20 0.41
PIK3CB P42338 6/20 0.41
PIK3CG P48736 6/20 0.41
PRKDC P78527 6/20 0.41
NUDT14 O95848 2/20 0.41
NUDT5 Q9UKK9 2/20 0.41
KDR P35968 6/20 0.41
LCK P06239 3/20 0.41
TEK Q02763 2/20 0.41
EGFR P00533 5/20 0.38
LYN P07948 1/20 0.38
BLK P51451 1/20 0.38
SRC P12931 5/20 0.38
ABL1 P00519 4/20 0.38
HCK P08631 4/20 0.38
MTOR P42345 4/20 0.38
EPHB4 P54760 4/20 0.38
PI4KB Q9UBF8 4/20 0.38
TNK2 Q07912 3/20 0.38

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
SCHEMBL30415900 0.84 FYN (0.47) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL22692848 0.84 FYN (0.47) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL17626654 0.82 NUDT14 (0.48) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL18235468 0.82 KDR (0.49) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL149528 0.81 KDR (0.52) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL22243276 0.79 NUDT14 (0.67) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL14617841 0.79 BTK (0.52) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL200349 0.79 NUDT14 (0.62) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL12713498 0.78 PIK3CD (0.50) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
Hydrochloric Acid SCHEMBL29439185 0.78 NUDT14 (0.61) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118201929-A PROTAC compound, pharmaceutical composition containing same, and preparation method and application thereof 广东弘烨医药科技有限公司 2024-06-14 CN disclosed
CN-116589465-A Cyclic molecules as inhibitors of bruton's tyrosine kinase 明慧医药(上海)有限公司 2023-08-15 CN disclosed
WO-2023072270-A1 PROTAC COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USE THEREOF 百极弘烨(南通)医药科技有限公司 2023-05-04 WO disclosed
WO-2023072270-A1 PROTAC COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USE THEREOF 百极弘烨(南通)医药科技有限公司 2023-05-04 WO disclosed
CN-113710671-B Cyclic molecules as inhibitors of bruton's tyrosine kinase 明慧医药(上海)有限公司 2023-04-28 CN disclosed
CN-113710671-A Cyclic molecules as inhibitors of bruton's tyrosine kinase 明慧医药(上海)有限公司 2021-11-26 CN disclosed
EP-3912980-A1 CYCLIC MOLECULES AS BRUTON'S TYROSINE KINASE INHIBITOR Minghui Pharmaceutical (Shanghai) Limited (CN) 2021-11-24 EP disclosed
WO-2020147798-A1 CYCLIC MOLECULES AS BRUTON'S TYROSINE KINASE INHIBITOR 明慧医药(上海)有限公司 2020-07-23 WO disclosed