SCHEMBL20161881

SCHEMBL20161881

CC(=N)c1cc(C)c(C)cc1C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
MAOB P27338 1/20 0.32
MAPT P10636 1/20 0.32
SLC11A2 P49281 1/20 0.30

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
SCHEMBL16962085 0.77 CYP3A4 (0.36) PRSS1PRSS2PRSS3CYP3A4TSHR
SCHEMBL24633579 0.74 TSHR (0.33) TSHR
SCHEMBL13652487 0.74
SCHEMBL24063666 0.74
SCHEMBL13756309 0.72 CYP3A4 (0.33) PRSS1PRSS2PRSS3CYP3A4TSHR
SCHEMBL3203530 0.72 SMN1; SMN2 (0.48) CYP3A4TSHRBCHEACHEMAOB
SCHEMBL23011778 0.72 MEN1 (0.46) PRSS1PRSS2PRSS3CYP3A4TSHR
SCHEMBL17085840 0.72 TDP1 (0.46) MAPT
SCHEMBL24633558 0.71 TSHR (0.33) TSHR
SCHEMBL22753250 0.71 CYP2A6 (0.44) PRSS1PRSS2PRSS3MAPT

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-2018089261-A2 COMPOUNDS AND METHODS FOR MODULATING INTERLEUKIN-2-INDUCIBLE T-CELL KINASE CORVUS PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed