SCHEMBL29012268

SCHEMBL29012268

CC(=O)Nc1nnc(CC2CCCNC2)c2cc(-c3ccc(Cl)cc3)sc12

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 19/20 0.53
CDK2AP1 O14519 1/20 0.42

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
SCHEMBL29012208 0.95 CHEK1 (0.49) CHEK1CDK2AP1
SCHEMBL29012210 0.85 CHEK1 (0.41) CHEK1
SCHEMBL29012233 0.84 CHEK1 (0.40) CHEK1
SCHEMBL12948509 0.84 CHEK1 (0.56) CHEK1CDK2AP1
SCHEMBL29012252 0.84 CHEK1 (0.40) CHEK1
SCHEMBL8835672 0.83 CHEK1 (0.54) CHEK1CDK2AP1
SCHEMBL4343133 0.83 CHEK1 (0.68) CHEK1CDK2AP1
SCHEMBL29900120 0.83 CHEK1 (0.68) CHEK1CDK2AP1
SCHEMBL29900038 0.83 CHEK1 (0.68) CHEK1CDK2AP1
SCHEMBL27768326 0.83 CHEK1 (0.68) CHEK1CDK2AP1

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