SCHEMBL30280916

SCHEMBL30280916

Cc1nnc(-c2cc(C(=O)O)c(C)c(C3CCC3)c2)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 17/20 0.39
CAMKK1 Q8N5S9 11/20 0.37
HCAR2 Q8TDS4 1/20 0.37
KDM5A P29375 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
SGK1 O00141 1/20 0.33
AURKA O14965 1/20 0.33
SGK3 Q96BR1 1/20 0.33
SGK2 Q9HBY8 1/20 0.33
GPR35 Q9HC97 1/20 0.33

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
SCHEMBL30280937 0.97 CAMKK2 (0.41) CAMKK2CAMKK1KDM5AKDM5BSGK1
SCHEMBL30280872 0.86 PDK2 (0.39) CAMKK2
SCHEMBL30280777 0.85 CAMKK2 (0.36) CAMKK2CAMKK1HCAR2KDM5AKDM5B
SCHEMBL30280839 0.83 CAMKK2 (0.41) CAMKK2CAMKK1HCAR2KDM5AKDM5B
SCHEMBL30281022 0.81 CAMKK2 (0.40) CAMKK2CAMKK1HCAR2SGK1AURKA
SCHEMBL12488371 0.79 FASN (0.41)
SCHEMBL30280875 0.77 FASN (0.45) CAMKK2CAMKK1SGK1AURKASGK3
SCHEMBL30281015 0.76 FASN (0.34) CAMKK2CAMKK1GPR35
SCHEMBL12489277 0.76 FASN (0.39) CAMKK2CAMKK1KDM5AKDM5B
SCHEMBL30281063 0.76 CAMKK2 (0.35) CAMKK2CAMKK1HCAR2KDM5AKDM5B

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
CN-116139138-A Heterocyclic modulators of lipid synthesis 3-V生物科学股份有限公司 2023-05-23 CN disclosed
CN-110177551-B Heterocyclic modulators of lipid synthesis 3-V生物科学股份有限公司 2023-02-17 CN disclosed