SCHEMBL27768305

SCHEMBL27768305

NC(=O)c1nnc(C[C@H]2CCNC2)c2cc(-c3ccc(Cl)cc3)sc12

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 19/20 0.62
CDK2AP1 O14519 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
SCHEMBL8831254 1.00 CHEK1 (0.62) CHEK1CDK2AP1
Hydrochloric Acid SCHEMBL27768311 0.99 CHEK1 (0.61) CHEK1CDK2AP1
SCHEMBL27768326 0.94 CHEK1 (0.68) CHEK1CDK2AP1
SCHEMBL29900038 0.94 CHEK1 (0.68) CHEK1CDK2AP1
SCHEMBL4343133 0.94 CHEK1 (0.68) CHEK1CDK2AP1
SCHEMBL29900120 0.94 CHEK1 (0.68) CHEK1CDK2AP1
SCHEMBL8847235 0.94 CHEK1 (0.59) CHEK1CDK2AP1
Hydrochloric Acid SCHEMBL27747351 0.94 CHEK1 (0.67) CHEK1CDK2AP1
Hydrochloric Acid SCHEMBL27747350 0.93 CHEK1 (0.58) CHEK1CDK2AP1
SCHEMBL12948532 0.91 CHEK1 (0.51) 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 8 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-101481380-B Thiofuran pyridazine compound, preparation thereof, pharmaceutical composition and uses thereof ZHEJIANG MED XINCHANG PHARM 2012-10-17 CN claimed
CN-101481380-A Thiofuran pyridazine compound, preparation thereof, pharmaceutical composition and uses thereof ZHEJIANG MEDICINE CO LTD (CN) 2009-07-15 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
CN-101481380-B Thiofuran pyridazine compound, preparation thereof, pharmaceutical composition and uses thereof ZHEJIANG MED XINCHANG PHARM 2012-10-17 CN disclosed
CN-101481380-A Thiofuran pyridazine compound, preparation thereof, pharmaceutical composition and uses thereof ZHEJIANG MEDICINE CO LTD (CN) 2009-07-15 CN disclosed