SCHEMBL29720666

SCHEMBL29720666

Cc1nnc(-c2nnc(Nc3cnc(C#N)cn3)cc2NCC2CCCN(C(=O)OC(C)(C)C)C2)o1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 15/20 0.45
CHEK2 O96017 5/20 0.42
IRAK1 P51617 1/20 0.41
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
GPR119 Q8TDV5 1/20 0.38
ACKR3 P25106 1/20 0.37

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
SCHEMBL26976913 1.00 CHEK1 (0.45) CHEK1CHEK2IRAK1IDO1TDO2
SCHEMBL26979813 0.91 CHEK1 (0.51) CHEK1CHEK2GPR119
SCHEMBL26976718 0.87 CHEK1 (0.45) CHEK1CHEK2
SCHEMBL26976753 0.85 CHEK1 (0.48) CHEK1CHEK2IRAK1IDO1TDO2
SCHEMBL29720802 0.85 CHEK1 (0.48) CHEK1CHEK2IRAK1IDO1TDO2
SCHEMBL26976725 0.84 CHEK1 (0.45) CHEK1CHEK2IRAK1IDO1TDO2
SCHEMBL617376 0.84 CHEK1 (0.52) CHEK1CHEK2IRAK1IDO1TDO2
SCHEMBL26976771 0.84 CHEK1 (0.52) CHEK1CHEK2IRAK1IDO1TDO2
SCHEMBL26976814 0.83 CHEK1 (0.54) CHEK1CHEK2IRAK1IDO1TDO2
SCHEMBL26977012 0.82 CHEK1 (0.46) CHEK1CHEK2IRAK1IDO1TDO2

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