SCHEMBL29900086

SCHEMBL29900086

NC(=O)c1nnc(CC2CCCNC2)c2cc(-c3cc(Cl)cc(Cl)c3)sc12

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 20/20 0.56
KCNH2 Q12809 3/20 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
SCHEMBL4341670 1.00 CHEK1 (0.56) CHEK1KCNH2
SCHEMBL29900038 0.92 CHEK1 (0.68) CHEK1KCNH2
SCHEMBL4343133 0.92 CHEK1 (0.68) CHEK1KCNH2
SCHEMBL27768326 0.92 CHEK1 (0.68) CHEK1KCNH2
SCHEMBL29900120 0.92 CHEK1 (0.68) CHEK1KCNH2
Hydrochloric Acid SCHEMBL27747351 0.91 CHEK1 (0.67) CHEK1KCNH2
SCHEMBL12922027 0.88 CHEK1 (0.46) CHEK1KCNH2
SCHEMBL8846947 0.86 CHEK1 (0.56) CHEK1KCNH2
SCHEMBL8828193 0.86 CHEK1 (0.56) CHEK1KCNH2
SCHEMBL8831254 0.86 CHEK1 (0.62) CHEK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115038439-A Combination cancer therapy with CHK inhibitors 上海华禹生物科技有限公司 2022-09-09 CN claimed
CN-115038440-A Combination cancer therapy with CHK inhibitors 上海华禹生物科技有限公司 2022-09-09 CN claimed
CN-115038439-A Combination cancer therapy with CHK inhibitors 上海华禹生物科技有限公司 2022-09-09 CN disclosed
CN-115038440-A Combination cancer therapy with CHK inhibitors 上海华禹生物科技有限公司 2022-09-09 CN disclosed