SCHEMBL25733593

SCHEMBL25733593

Cn1c(-c2ccccn2)nc2c(N3CCOCC3)nc(-n3ccc(C4CCN(C(=O)OC(C)(C)C)C4)n3)nc21

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 12/20 0.42
▸ USP30 Q70CQ3 3/20 0.40
▸ GPR119 Q8TDV5 2/20 0.38
▸ PIK3CA P42336 2/20 0.37
▸ MTOR P42345 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ ATR Q13535 1/20 0.37
▸ AURKB Q96GD4 1/20 0.37

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
SCHEMBL31730925 1.00 PIK3CD (0.42) PIK3CDUSP30GPR119PIK3CAMTOR
SCHEMBL31730853 0.90 PIK3CD (0.40) PIK3CDPIK3CAMTORPIK3CG
SCHEMBL25733595 0.90 PIK3CD (0.40) PIK3CDPIK3CAMTORPIK3CG
SCHEMBL31730923 0.89 PIK3CD (0.45) PIK3CDUSP30GPR119PIK3CAMTOR
SCHEMBL25733410 0.89 PIK3CD (0.45) PIK3CDUSP30GPR119PIK3CAMTOR
SCHEMBL25229681 0.85 PIK3CD (0.43) PIK3CDUSP30GPR119PIK3CAMTOR
SCHEMBL31730879 0.84 GPR119 (0.43) PIK3CDUSP30GPR119PIK3CAMTOR
SCHEMBL25733559 0.84 GPR119 (0.43) PIK3CDUSP30GPR119PIK3CAMTOR
SCHEMBL25735110 0.82 PIK3CD (0.40) PIK3CDUSP30GPR119PIK3CAMTOR
SCHEMBL25229334 0.81 PIK3CA (0.40) PIK3CDGPR119PIK3CAMTORPIK3CG

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-2023107552-A2 PURINES AND METHODS OF THEIR USE Kineta, Inc. (US) 2023-06-15 — — WO disclosed
Send feedback