SCHEMBL21887465

SCHEMBL21887465

Nc1cccc(-n2cnc(C3CC3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 17/20 0.47
MAPT P10636 1/20 0.46
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39

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
SCHEMBL29404609 1.00 MAP3K5 (0.47) MAP3K5MAPTDDB1CRBN
SCHEMBL25316841 0.82 MAP3K5 (0.47) MAP3K5DDB1CRBN
SCHEMBL30352583 0.82 MAP3K5 (0.47) MAP3K5DDB1CRBN
SCHEMBL28648093 0.80 MAP3K5 (0.52) MAP3K5
SCHEMBL28848714 0.79 MAP3K5 (0.42) MAP3K5
SCHEMBL28848739 0.79 MAP3K5 (0.38) MAP3K5
SCHEMBL29949305 0.79 MAP3K5 (0.38) MAP3K5
SCHEMBL23510668 0.78 MAP3K5 (0.45) MAP3K5
SCHEMBL23510667 0.78 MAP3K5 (0.46) MAP3K5
SCHEMBL27959304 0.77 MAP3K5 (0.52) MAP3K5MAPTDDB1CRBN

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-2020061112-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2020-03-26 WO disclosed