SCHEMBL30353052

SCHEMBL30353052

CCN(CC(F)F)c1cc(C(=O)c2cccc(C#N)c2)n(C)n1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.39
VNN1 O95497 15/20 0.37
MAPK14 Q16539 1/20 0.36
GRM5 P41594 1/20 0.36

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
SCHEMBL30353071 0.76 TBXAS1 (0.36)
SCHEMBL15201791 0.67 VNN1 (0.46) GSK3BVNN1MAPK14GRM5
SCHEMBL15201234 0.67 CYP11B1 (0.46) GSK3BVNN1GRM5
SCHEMBL15201088 0.67 GSK3B (0.45) GSK3BVNN1GRM5
SCHEMBL15201043 0.66 VNN1 (0.45) GSK3BVNN1
SCHEMBL15201089 0.65 VNN1 (0.42) GSK3BVNN1GRM5
SCHEMBL15201266 0.65 VNN1 (0.48) GSK3BVNN1MAPK14GRM5
SCHEMBL4918506 0.64 HPGD (0.61) GSK3BGRM5
SCHEMBL3824644 0.63 GSK3B (0.46) GSK3BVNN1
SCHEMBL30353122 0.63 TBXAS1 (0.38)

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-115996910-A Aryl or heteroaryl derivatives 帝人制药株式会社 2023-04-21 CN claimed
CN-115996910-A Aryl or heteroaryl derivatives 帝人制药株式会社 2023-04-21 CN disclosed