SCHEMBL25807013

SCHEMBL25807013

CC(C)(C)OC(=O)N1CCc2c(nc(Cl)nc2N2CC3CC4(C(=O)OC(C)(C)C)CC(C2)N34)C1=O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 8/20 0.34
PIK3CA P42336 8/20 0.34
PIM1 P11309 1/20 0.30
PIM2 Q9P1W9 1/20 0.30
PIK3CD O00329 1/20 0.30
PIK3CB P42338 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
SCHEMBL2625359 0.81 PIK3CA (0.41) PIK3R1PIK3CAPIK3CDPIK3CB
SCHEMBL30521191 0.80 JAK1 (0.40) PIK3R1PIK3CA
SCHEMBL25807230 0.76 PIK3R1 (0.36) PIK3R1PIK3CAPIK3CDPIK3CB
SCHEMBL30521559 0.76 PIK3R1 (0.36) PIK3R1PIK3CAPIK3CDPIK3CB
SCHEMBL30521605 0.76 AGTR2 (0.40)
SCHEMBL2625356 0.76 POLB (0.34) PIM1PIM2
SCHEMBL30520916 0.76 POLB (0.34) PIM1PIM2
SCHEMBL30521075 0.74 KRAS (0.37)
SCHEMBL25446045 0.70 JAK1 (0.33)
SCHEMBL31514682 0.68 POLB (0.37)

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-2023125627-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND APPLICATION THEREOF LYNK PHARMACEUTICALS CO., LTD. (CN) 2023-07-06 WO disclosed