SCHEMBL29720649

SCHEMBL29720649

CC(C)(C)OC(=O)N1CCC(CNc2cc(Nc3cnc(C#N)cn3)nnc2C(N)=O)C1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 15/20 0.51
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
CHEK2 O96017 5/20 0.46
GPR119 Q8TDV5 2/20 0.43
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
SYK P43405 1/20 0.38

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
SCHEMBL26976746 1.00 CHEK1 (0.51) CHEK1IDO1TDO2CHEK2GPR119
SCHEMBL26976753 0.95 CHEK1 (0.48) CHEK1IDO1TDO2CHEK2GPR119
SCHEMBL29720802 0.95 CHEK1 (0.48) CHEK1IDO1TDO2CHEK2GPR119
SCHEMBL26976965 0.88 CHEK1 (0.47) CHEK1IDO1TDO2CHEK2GPR119
SCHEMBL26976860 0.88 CHEK1 (0.55) CHEK1IDO1TDO2CHEK2GPR119
SCHEMBL26976787 0.87 CHEK1 (0.53) CHEK1CHEK2GPR119
SCHEMBL26976771 0.86 CHEK1 (0.52) CHEK1IDO1TDO2CHEK2GPR119
SCHEMBL26976670 0.85 CHEK1 (0.57) CHEK1CHEK2GPR119
SCHEMBL26976985 0.85 CHEK1 (0.52) CHEK1CHEK2GPR119
SCHEMBL26976725 0.85 CHEK1 (0.45) CHEK1IDO1TDO2CHEK2GPR119

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
EP-4298095-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITOR AND USES THEREOF Sperogenix Therapeutics Limited (HK) 2024-01-03 EP disclosed
WO-2022162606-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITOR AND USES THEREOF SPEROGENIX THERAPEUTICS LIMITED (CN) 2022-08-04 WO disclosed