Sugi Predict

Sugi Predict / Compounds / SCHEMBL2285443

SCHEMBL2285443

SCHEMBL2285443

CC(C)(C)[C@](NCC=Cc1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)cc1)(C(=O)O)C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 15/20 0.49
▸ IKBKB O14920 3/20 0.46
▸ JAK2 O60674 2/20 0.45
▸ JAK3 P52333 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ EIF2AK2 P19525 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL2285429 1.00 CHEK1 (0.49) CHEK1IKBKBJAK2JAK3MEN1
SCHEMBL2286025 0.88 CHEK1 (0.52) CHEK1IKBKBJAK2JAK3MEN1
SCHEMBL2286010 0.88 CHEK1 (0.52) CHEK1IKBKBJAK2JAK3MEN1
SCHEMBL2281591 0.84 IKBKB (0.50) CHEK1IKBKBJAK2JAK3MEN1
SCHEMBL2281578 0.84 IKBKB (0.50) CHEK1IKBKBJAK2JAK3MEN1
SCHEMBL2458611 0.82 CHEK1 (0.55) CHEK1IKBKBJAK2JAK3MEN1
SCHEMBL2455300 0.82 CHEK1 (0.55) CHEK1IKBKBJAK2JAK3MEN1
SCHEMBL2459543 0.79 CHEK1 (0.54) CHEK1IKBKBJAK2JAK3MEN1
SCHEMBL2282771 0.78 CHEK1 (0.55) CHEK1IKBKBJAK2JAK3MEN1
SCHEMBL2282752 0.78 CHEK1 (0.55) CHEK1IKBKBJAK2JAK3MEN1

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 2 patents. 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
US-8003695-B2 IKK-beta serine-threonine protein kinase inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-08-23 — — US disclosed