SCHEMBL20437482

SCHEMBL20437482

Cc1cc(N2CC3CC2CO3)nc(C)n1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 19/20 0.48
DLK1 P80370 1/20 0.46
MAP3K13 O43283 1/20 0.43

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
SCHEMBL22723461 0.86 MAP3K12 (0.46) MAP3K12DLK1MAP3K13
SCHEMBL22753144 0.86 MAP3K12 (0.46) MAP3K12DLK1MAP3K13
SCHEMBL22723456 0.86 MAP3K12 (0.46) MAP3K12DLK1MAP3K13
SCHEMBL20437623 0.83 MAP3K12 (0.45) MAP3K12DLK1MAP3K13
SCHEMBL16216908 0.78 MAP3K12 (0.78) MAP3K12
SCHEMBL16216907 0.78 MAP3K12 (0.78) MAP3K12
SCHEMBL26604159 0.73 MAP3K12 (0.48) MAP3K12DLK1MAP3K13
SCHEMBL25147712 0.73 MAP3K12 (0.50) MAP3K12DLK1MAP3K13
SCHEMBL15743920 0.73 MAP3K12 (0.50) MAP3K12DLK1MAP3K13
SCHEMBL15743911 0.73 MAP3K12 (0.50) MAP3K12DLK1MAP3K13

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-2018137593-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-08-02 WO disclosed