SCHEMBL30675397

SCHEMBL30675397

COc1cc(Br)cc(OCCCN)c1-c1cc(Nc2cnc(C#N)cn2)n[nH]1

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 19/20 0.80
KCNH2 Q12809 16/20 0.80
NUAK1 O60285 1/20 0.79
CHEK2 O96017 1/20 0.79
RPS6KB1 P23443 1/20 0.79
FLT3 P36888 1/20 0.79
BLK P51451 1/20 0.79
PRKAG1 P54619 1/20 0.79
PRKAA1 Q13131 1/20 0.79
PRKAB1 Q9Y478 1/20 0.79

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
SCHEMBL19208011 1.00 CHEK1 (0.80) CHEK1KCNH2NUAK1CHEK2RPS6KB1
SCHEMBL23327317 0.92 CHEK1 (0.81) CHEK1KCNH2NUAK1CHEK2RPS6KB1
SCHEMBL19208028 0.92 CHEK1 (0.81) CHEK1KCNH2NUAK1CHEK2RPS6KB1
SCHEMBL19208017 0.92 CHEK1 (0.81) CHEK1KCNH2NUAK1CHEK2RPS6KB1
SCHEMBL19208012 0.91 CHEK1 (0.80) CHEK1KCNH2NUAK1CHEK2RPS6KB1
SCHEMBL19208013 0.90 CHEK1 (0.80) CHEK1KCNH2NUAK1CHEK2RPS6KB1
SCHEMBL29632362 0.89 CHEK1 (1.00) CHEK1KCNH2NUAK1CHEK2RPS6KB1
SCHEMBL24936243 0.89 CHEK1 (1.00) CHEK1KCNH2NUAK1CHEK2RPS6KB1
Prexasertib SCHEMBL1975451 0.88 CHEK1 (1.00) CHEK1KCNH2NUAK1CHEK2RPS6KB1
Prexasertib SCHEMBL29371799 0.88 CHEK1 (1.00) CHEK1KCNH2NUAK1CHEK2RPS6KB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4529926-A1 METHOD FOR TREATING CANCER BY COMBINING ALKYLATING AGENT PRODRUG AND CELL CYCLE INHIBITOR Ascentawits Pharmaceuticals, Ltd. (CN) 2025-04-02 EP claimed
CN-119233822-A Methods of treating cancer using alkylating agent prodrugs and cell cycle inhibitors in combination 深圳艾欣达伟医药科技有限公司 2024-12-31 CN claimed
WO-2023226959-A1 METHOD FOR TREATING CANCER BY COMBINING ALKYLATING AGENT PRODRUG AND CELL CYCLE INHIBITOR 深圳艾欣达伟医药科技有限公司 2023-11-30 WO claimed
WO-2025082484-A1 TREATMENT OF PATIENT WITH NEGATIVE P53 GENE MUTATION, POSITIVE KRAS GENE MUTATION AND POSITIVE BRCA MUTATION 深圳艾欣达伟医药科技有限公司 2025-04-24 WO disclosed
EP-4529926-A1 METHOD FOR TREATING CANCER BY COMBINING ALKYLATING AGENT PRODRUG AND CELL CYCLE INHIBITOR Ascentawits Pharmaceuticals, Ltd. (CN) 2025-04-02 EP disclosed
CN-119233822-A Methods of treating cancer using alkylating agent prodrugs and cell cycle inhibitors in combination 深圳艾欣达伟医药科技有限公司 2024-12-31 CN disclosed
WO-2023226959-A1 METHOD FOR TREATING CANCER BY COMBINING ALKYLATING AGENT PRODRUG AND CELL CYCLE INHIBITOR 深圳艾欣达伟医药科技有限公司 2023-11-30 WO disclosed