SCHEMBL29490491

SCHEMBL29490491

CN1CCC(n2cc(Nc3ncc(C(F)F)c(NCCCN4CCCOCC4=O)n3)cn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 6/20 0.48
JAK1 P23458 8/20 0.48
JAK3 P52333 8/20 0.48
JAK2 O60674 6/20 0.48
CDK4 P11802 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CDK6 Q00534 1/20 0.42
TYK2 P29597 1/20 0.42
IRAK4 Q9NWZ3 5/20 0.42

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
SCHEMBL22635074 1.00 TBK1 (0.48) TBK1JAK1JAK3JAK2CDK4
SCHEMBL29490543 0.91 JAK1 (0.51) TBK1JAK1JAK3JAK2TYK2
SCHEMBL22635455 0.91 JAK1 (0.51) TBK1JAK1JAK3JAK2TYK2
SCHEMBL22635441 0.89 TBK1 (0.46) TBK1JAK1JAK3JAK2TYK2
SCHEMBL29490560 0.89 TBK1 (0.46) TBK1JAK1JAK3JAK2TYK2
SCHEMBL22635241 0.89 TBK1 (0.48) TBK1JAK1JAK3JAK2CDK4
SCHEMBL29490538 0.89 TBK1 (0.48) TBK1JAK1JAK3JAK2CDK4
SCHEMBL22635196 0.89 TBK1 (0.46) TBK1JAK1JAK3JAK2CDK4
SCHEMBL29490445 0.89 TBK1 (0.46) TBK1JAK1JAK3JAK2CDK4
SCHEMBL22635617 0.89 ULK1 (0.52) TBK1JAK1JAK3JAK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3966206-A1 HETEROARYLAMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF Deciphera Pharmaceuticals, LLC (US) 2022-03-16 EP claimed
EP-4295846-A2 HETEROARYLAMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF Deciphera Pharmaceuticals, LLC (US) 2023-12-27 EP disclosed
EP-3966206-A1 HETEROARYLAMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF Deciphera Pharmaceuticals, LLC (US) 2022-03-16 EP disclosed