Sugi Predict

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SCHEMBL2343602

SCHEMBL2343602

CC(C)C[C@H](C(=O)OC1CCCC1)N(C/C=C/c1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 16/20 0.44
▸ IKBKB O14920 3/20 0.39
▸ JAK2 O60674 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ EIF2AK2 P19525 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ JAK3 P52333 1/20 0.36

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
SCHEMBL2279115 1.00 CHEK1 (0.44) CHEK1IKBKBJAK2MEN1EIF2AK2
SCHEMBL2279117 1.00 CHEK1 (0.44) CHEK1IKBKBJAK2MEN1EIF2AK2
SCHEMBL14204482 0.83 CHEK1 (0.44) CHEK1IKBKBJAK2MEN1EIF2AK2
SCHEMBL2280269 0.81 CHEK1 (0.49) CHEK1IKBKBJAK2MEN1EIF2AK2
SCHEMBL2280263 0.81 CHEK1 (0.49) CHEK1IKBKBJAK2MEN1EIF2AK2
SCHEMBL2280266 0.81 CHEK1 (0.49) CHEK1IKBKBJAK2MEN1EIF2AK2
SCHEMBL2348451 0.81 CHEK1 (0.49) CHEK1IKBKBJAK2MEN1EIF2AK2
SCHEMBL2347689 0.80 CHEK1 (0.47) CHEK1IKBKBJAK2MEN1EIF2AK2
SCHEMBL490597 0.80 CHEK1 (0.47) CHEK1IKBKBJAK2MEN1EIF2AK2
SCHEMBL2350151 0.80 CHEK1 (0.47) CHEK1IKBKBJAK2MEN1EIF2AK2

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-2078007-B1 IKK-BETA SERINE-THREONINE PROTEIN KINASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2011-08-31 — — EP disclosed