SCHEMBL22787478

SCHEMBL22787478

N=Nc1c(NCCc2ccccc2)ncnc1NC1CC(O)C(COS(N)(=O)=O)C1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 19/20 0.61
UBA3 Q8TBC4 19/20 0.61
SAE1 Q9UBE0 12/20 0.51
UBA2 Q9UBT2 12/20 0.51

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
SCHEMBL22787564 0.95 NAE1 (0.60) NAE1UBA3SAE1UBA2
SCHEMBL24286192 0.87 NAE1 (0.61) NAE1UBA3SAE1UBA2
SCHEMBL22787481 0.84 NAE1 (0.60) NAE1UBA3SAE1UBA2
SCHEMBL24286895 0.84 NAE1 (0.60) NAE1UBA3SAE1UBA2
SCHEMBL24286261 0.82 NAE1 (0.56) NAE1UBA3SAE1UBA2
SCHEMBL22787462 0.82 NAE1 (0.60) NAE1UBA3SAE1UBA2
SCHEMBL24286186 0.81 NAE1 (0.60) NAE1UBA3SAE1UBA2
SCHEMBL22787567 0.80 NAE1 (0.83) NAE1UBA3SAE1UBA2
SCHEMBL22787563 0.79 NAE1 (0.41) NAE1UBA3
SCHEMBL22787656 0.78 NAE1 (0.53) NAE1UBA3SAE1UBA2

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
WO-2020249109-A1 TRIAZOLOPYRIMIDINE COMPOUND AND SALT, COMPOSITION AND USE THEREOF 中国科学院上海药物研究所 2020-12-17 WO disclosed