SCHEMBL21351622

SCHEMBL21351622

CC1(C)OB(c2cnc(N3[C@@H]4CC[C@H]3COC4)nc2)OC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 12/20 0.37
▸ PIK3CA P42336 10/20 0.37
▸ RICTOR Q6R327 3/20 0.37
▸ RPTOR Q8N122 3/20 0.37
▸ MAPKAP1 Q9BPZ7 3/20 0.37
▸ MLST8 Q9BVC4 3/20 0.37
▸ PIK3CD O00329 2/20 0.37
▸ PIK3CB P42338 2/20 0.37
▸ PIK3CG P48736 2/20 0.37
▸ PIK3C3 Q8NEB9 2/20 0.37
▸ PIK3R1 P27986 1/20 0.37
▸ FFAR1 O14842 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.32
▸ MAP3K12 Q12852 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ LPL P06858 2/20 0.31
▸ LIPG Q9Y5X9 2/20 0.31
▸ DGAT1 O75907 2/20 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
SCHEMBL30749028 1.00 MTOR (0.37) MTORPIK3CARICTORRPTORMAPKAP1
SCHEMBL16292259 0.77 LPL (0.42) LPLLIPG
SCHEMBL14862714 0.77 LPL (0.42) LPLLIPG
SCHEMBL24894860 0.75 USP30 (0.35) FFAR1USP30MAP3K12LPLLIPG
SCHEMBL20896213 0.73 MTOR (0.44) MTORPIK3CARICTORRPTORMAPKAP1
SCHEMBL20896210 0.73 MTOR (0.44) MTORPIK3CARICTORRPTORMAPKAP1
SCHEMBL30018560 0.72 TSHR (0.37) FFAR1USP30LPLLIPG
SCHEMBL1877437 0.72 POLB (0.46) MTORPIK3CAPIK3CDPIK3CBPIK3R1
SCHEMBL30748968 0.72 MTOR (0.40) MTORPIK3CARICTORRPTORMAPKAP1
SCHEMBL14701431 0.71 MAP3K12 (0.37) FFAR1USP30MAP3K12

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
EP-3080113-B1 FUSED TRICYCLIC IMIDAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2019-09-18 — — EP disclosed
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