SCHEMBL25733410

SCHEMBL25733410

Cn1c(-c2ccncc2)nc2c(N3CCOCC3)nc(-n3ccc(C4CCN(C(=O)OC(C)(C)C)C4)n3)nc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 11/20 0.45
▸ USP30 Q70CQ3 2/20 0.40
▸ GPR119 Q8TDV5 2/20 0.40
▸ PIK3CA P42336 4/20 0.39
▸ MTOR P42345 3/20 0.39
▸ PIK3CG P48736 3/20 0.39
▸ ATR Q13535 2/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37
▸ HDAC5 Q9UQL6 1/20 0.37
▸ NCOR2 Q9Y618 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
SCHEMBL31730923 1.00 PIK3CD (0.45) PIK3CDUSP30GPR119PIK3CAMTOR
SCHEMBL25229681 0.96 PIK3CD (0.43) PIK3CDUSP30GPR119PIK3CAMTOR
SCHEMBL25733559 0.96 GPR119 (0.43) PIK3CDUSP30GPR119PIK3CAMTOR
SCHEMBL31730879 0.96 GPR119 (0.43) PIK3CDUSP30GPR119PIK3CAMTOR
SCHEMBL31730860 0.90 HDAC3 (0.40) PIK3CDPIK3CAPIK3CGHDAC3HDAC4
SCHEMBL25733600 0.90 HDAC3 (0.40) PIK3CDPIK3CAPIK3CGHDAC3HDAC4
SCHEMBL31730925 0.89 PIK3CD (0.42) PIK3CDUSP30GPR119PIK3CAMTOR
SCHEMBL25733593 0.89 PIK3CD (0.42) PIK3CDUSP30GPR119PIK3CAMTOR
SCHEMBL31730820 0.89 PIK3CD (0.38) PIK3CDGPR119PIK3CAMTORPIK3CG
SCHEMBL25280763 0.86 HDAC1 (0.39) PIK3CDPIK3CAMTORPIK3CGHDAC3

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
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