SCHEMBL25733595

SCHEMBL25733595

CC(=O)N1CCC(c2ccn(-c3nc(N4CCOCC4)c4nc(-c5ccccn5)n(C)c4n3)n2)C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 9/20 0.40
▸ PIK3CA P42336 4/20 0.37
▸ PIK3CB P42338 2/20 0.37
▸ PIK3CG P48736 2/20 0.37
▸ USP1 O94782 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MAP3K12 Q12852 3/20 0.36
▸ TRPM8 Q7Z2W7 1/20 0.35
▸ MTOR P42345 2/20 0.35
▸ PIK3R1 P27986 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ TSHR P16473 1/20 0.35

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
SCHEMBL31730853 1.00 PIK3CD (0.40) PIK3CDPIK3CAPIK3CBPIK3CGUSP1
SCHEMBL25733593 0.90 PIK3CD (0.42) PIK3CDPIK3CAPIK3CGMTOR
SCHEMBL31730925 0.90 PIK3CD (0.42) PIK3CDPIK3CAPIK3CGMTOR
SCHEMBL31730860 0.88 HDAC3 (0.40) PIK3CDPIK3CAPIK3CBPIK3CGMAP3K12
SCHEMBL25733600 0.88 HDAC3 (0.40) PIK3CDPIK3CAPIK3CBPIK3CGMAP3K12
SCHEMBL31730900 0.84 MTOR (0.38) PIK3CDPIK3CAPIK3CBNPSR1TRPM8
SCHEMBL25733594 0.84 MTOR (0.38) PIK3CDPIK3CAPIK3CBNPSR1TRPM8
SCHEMBL25733410 0.78 PIK3CD (0.45) PIK3CDPIK3CAPIK3CGMTORPIK3R1
SCHEMBL31730923 0.78 PIK3CD (0.45) PIK3CDPIK3CAPIK3CGMTORPIK3R1
SCHEMBL25280763 0.78 HDAC1 (0.39) PIK3CDPIK3CAPIK3CBPIK3CGMTOR

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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