SCHEMBL29033218

SCHEMBL29033218

O=CC(c1ccc(N2CCCCC2)c(NC(=O)c2csc(-c3cn[nH]c3)n2)c1)C1CNCCO1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 18/20 0.54
▸ CCNE1 P24864 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.39

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
SCHEMBL28382326 0.88 PIM1 (0.40) CHEK1CCNE1CDK2
SCHEMBL28886993 0.84 SRPK1 (0.43) IRAK4
SCHEMBL28383473 0.83 PIM1 (0.39) CHEK1CCNE1CDK2
SCHEMBL28382783 0.82 CHEK1 (0.51) CHEK1IRAK4
SCHEMBL29033317 0.79 AKT1 (0.41) IRAK4
SCHEMBL28887910 0.79 PIM1 (0.41) IRAK4
SCHEMBL20598346 0.77 CHEK1 (0.60) CHEK1CCNE1CDK2IRAK4
SCHEMBL15071640 0.75 CHEK1 (0.84) CHEK1
SCHEMBL28383196 0.75 CHEK1 (0.52) CHEK1IRAK4
SCHEMBL20598108 0.75 CHEK1 (0.57) CHEK1IRAK4

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
CN-111032642-B Kinase inhibitors and methods of making and using the same 里格尔药品股份有限公司 2023-07-18 — — CN claimed
CN-111032642-B Kinase inhibitors and methods of making and using the same 里格尔药品股份有限公司 2023-07-18 — — CN disclosed
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