SCHEMBL27072913

SCHEMBL27072913

Cn1ncc2ccc(N3CC4CC3CO4)nc21

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 16/20 0.46
MAP3K13 O43283 1/20 0.42
DLK1 P80370 1/20 0.42
MAP3K7 O43318 2/20 0.40
PDE10A Q9Y233 1/20 0.40

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
SCHEMBL27072976 0.75 MAP3K12 (0.41) MAP3K12DLK1
SCHEMBL25147712 0.74 MAP3K12 (0.50) MAP3K12MAP3K13DLK1MAP3K7
SCHEMBL15743911 0.74 MAP3K12 (0.50) MAP3K12MAP3K13DLK1MAP3K7
SCHEMBL15743920 0.74 MAP3K12 (0.50) MAP3K12MAP3K13DLK1MAP3K7
SCHEMBL25986253 0.72 NTRK1 (0.45)
SCHEMBL23807999 0.72 NTRK1 (0.45)
SCHEMBL23807996 0.72 NTRK1 (0.45)
SCHEMBL23945834 0.70 IRAK4 (0.46)
SCHEMBL21997814 0.70 IRAK4 (0.46)
SCHEMBL21996976 0.70 IRAK4 (0.46)

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-2024020084-A1 HETEROARYL COMPOUNDS AS LIGAND DIRECTED DEGRADERS OF IRAK4 BRISTOL-MYERS SQUIBB COMPANY (US) 2024-01-25 WO disclosed