SCHEMBL30522686

SCHEMBL30522686

COc1ccnc(OCCCNC(=O)OC(C)(C)C)c1-c1cc(Nc2cnc(C#N)cn2)n[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 12/20 1.00
CHEK1 O14757 19/20 0.62
NUAK1 O60285 1/20 0.55
CHEK2 O96017 1/20 0.55
RPS6KB1 P23443 1/20 0.55
FLT3 P36888 1/20 0.55
BLK P51451 1/20 0.55
PRKAG1 P54619 1/20 0.55
PRKAA1 Q13131 1/20 0.55
PRKAB1 Q9Y478 1/20 0.55

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
SCHEMBL24936162 1.00 KCNH2 (1.00) KCNH2CHEK1NUAK1CHEK2RPS6KB1
SCHEMBL29827190 1.00 KCNH2 (1.00) KCNH2CHEK1NUAK1CHEK2RPS6KB1
SCHEMBL24936314 0.94 KCNH2 (0.89) KCNH2CHEK1NUAK1CHEK2RPS6KB1
SCHEMBL29827412 0.91 KCNH2 (0.83) KCNH2CHEK1NUAK1CHEK2RPS6KB1
SCHEMBL30522706 0.91 KCNH2 (0.83) KCNH2CHEK1NUAK1CHEK2RPS6KB1
SCHEMBL24945667 0.91 KCNH2 (0.83) KCNH2CHEK1NUAK1CHEK2RPS6KB1
SCHEMBL24936265 0.90 KCNH2 (0.81) KCNH2CHEK1NUAK1CHEK2RPS6KB1
SCHEMBL24935537 0.90 KCNH2 (0.81) KCNH2CHEK1NUAK1CHEK2RPS6KB1
SCHEMBL1972711 0.89 KCNH2 (0.81) KCNH2CHEK1NUAK1CHEK2RPS6KB1
SCHEMBL30093122 0.89 KCNH2 (0.81) KCNH2CHEK1NUAK1CHEK2RPS6KB1

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-119403571-A Therapeutic agent for cancer having therapeutic resistance to immune checkpoint inhibitor 住友制药株式会社 2025-02-07 CN disclosed
CN-116546974-A 5-heteroaryl-1H-pyrazol-3-amine derivatives 住友制药株式会社 2023-08-04 CN disclosed