SCHEMBL26976889

SCHEMBL26976889

Cn1cc(-c2nnc(Nc3cnc(C#N)cn3)cc2NCC2CN(C(=O)OC(C)(C)C)CCO2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 20/20 0.51
▸ KCNH2 Q12809 6/20 0.51
▸ CHEK2 O96017 3/20 0.44
▸ NUAK1 O60285 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ CCNB1 P14635 1/20 0.40
▸ FLT1 P17948 1/20 0.40
▸ MARK3 P27448 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ CLK2 P49760 1/20 0.40
▸ RPS6KA3 P51812 1/20 0.40
▸ PRKAG1 P54619 1/20 0.40
▸ PRKAA1 Q13131 1/20 0.40
▸ PRKD1 Q15139 1/20 0.40
▸ RPS6KA1 Q15418 1/20 0.40
▸ PHKG1 Q16816 1/20 0.40
▸ MAPK15 Q8TD08 1/20 0.40
▸ BRSK1 Q8TDC3 1/20 0.40
▸ PRKAB1 Q9Y478 1/20 0.40

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
SCHEMBL26976923 0.91 JAK2 (0.42) CHEK1KCNH2
SCHEMBL26976718 0.88 CHEK1 (0.45) CHEK1KCNH2CHEK2NUAK1CDK1
SCHEMBL22944209 0.88 CHEK1 (0.48) CHEK1KCNH2CHEK2NUAK1CDK1
SCHEMBL29578206 0.88 CHEK1 (0.48) CHEK1KCNH2CHEK2NUAK1CDK1
SCHEMBL26976678 0.88 CHEK1 (0.43) CHEK1KCNH2CHEK2NUAK1CDK1
SCHEMBL26976764 0.87 CHEK1 (0.44) CHEK1KCNH2CHEK2NUAK1CDK1
SCHEMBL29579435 0.86 CHEK1 (0.48) CHEK1KCNH2CHEK2NUAK1CDK1
SCHEMBL22943402 0.86 CHEK1 (0.48) CHEK1KCNH2CHEK2NUAK1CDK1
SCHEMBL22944636 0.86 CHEK1 (0.48) CHEK1KCNH2CHEK2NUAK1CDK1
SCHEMBL22943432 0.86 CHEK1 (0.48) CHEK1KCNH2CHEK2NUAK1CDK1

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
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