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Sugi Predict / Compounds / SCHEMBL933079

SCHEMBL933079

SCHEMBL933079

CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc3nc(-c4ccc(-c5cnc([C@@H]6CCCN6C(=O)O)n5COCC[Si](C)(C)C)cc4)nc(O)c3c2)n1COCC[Si](C)(C)C.Oc1nc(-c2ccc(I)cc2)nc2ccc(Br)cc12

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 1/20 0.32
▸ CHEK2 O96017 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ GPR119 Q8TDV5 2/20 0.31
▸ JAK2 O60674 1/20 0.30
▸ JAK3 P52333 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
SCHEMBL933077 1.00 USP30 (0.32) USP30CHEK2KMT2AGPR119JAK2
SCHEMBL933074 0.94 USP30 (0.31) USP30CHEK2KMT2AGPR119
SCHEMBL933197 0.94 USP30 (0.32) USP30CHEK2KMT2AGPR119
SCHEMBL933194 0.94 USP30 (0.32) USP30CHEK2KMT2AGPR119
SCHEMBL1044322 0.93 CHEK2 (0.35) CHEK2KMT2AGPR119JAK2JAK3
SCHEMBL1887080 0.91 CHEK2 (0.36) CHEK2KMT2AGPR119JAK2JAK3
SCHEMBL1882908 0.86 CHEK2 (0.35) CHEK2KMT2AGPR119JAK2JAK3
SCHEMBL934276 0.84 CHEK2 (0.36) CHEK2KMT2AGPR119
SCHEMBL1890113 0.84 CHEK2 (0.36) CHEK2KMT2AGPR119JAK2JAK3
SCHEMBL1887085 0.83 CHEK2 (0.33) CHEK2GPR119

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-2011004276-A1 HEPATITIS C VIRUS INHIBITORS PFIZER LIMITED (GB) 2011-01-13 — — WO disclosed