SCHEMBL30800463

SCHEMBL30800463

COc1cccc(OC2CCC(NC(=O)OC(C)(C)C)CC2)c1-c1cc(Nc2cnc(C#N)cn2)n[nH]1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 19/20 0.59
KCNH2 Q12809 7/20 0.59
NUAK1 O60285 1/20 0.56
CHEK2 O96017 1/20 0.56
RPS6KB1 P23443 1/20 0.56
FLT3 P36888 1/20 0.56
BLK P51451 1/20 0.56
PRKAG1 P54619 1/20 0.56
PRKAA1 Q13131 1/20 0.56
PRKAB1 Q9Y478 1/20 0.56

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
SCHEMBL24977927 1.00 CHEK1 (0.59) CHEK1KCNH2NUAK1CHEK2RPS6KB1
SCHEMBL30101691 1.00 CHEK1 (0.59) CHEK1KCNH2NUAK1CHEK2RPS6KB1
SCHEMBL30634793 0.92 CHEK1 (0.71) CHEK1KCNH2
SCHEMBL31507337 0.92 CHEK1 (0.71) CHEK1KCNH2
SCHEMBL31507350 0.88 CHEK1 (0.76) CHEK1KCNH2
SCHEMBL24935525 0.88 CHEK1 (0.76) CHEK1KCNH2
SCHEMBL24977607 0.86 CHEK1 (0.75) CHEK1KCNH2NUAK1CHEK2RPS6KB1
SCHEMBL30106188 0.86 CHEK1 (0.75) CHEK1KCNH2NUAK1CHEK2RPS6KB1
SCHEMBL30634785 0.86 KCNH2 (0.63) CHEK1KCNH2
SCHEMBL25318548 0.86 CHEK1 (0.64) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117715905-A Checkpoint kinase 1 (CHK 1) inhibitors and uses thereof 无界生物公司 2024-03-15 CN disclosed