SCHEMBL3238372

SCHEMBL3238372

CC(C)(C)[S+]([O-])NCCc1ccc(F)cn1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL1063146 0.79 CACNA1I (0.34) HTR2AHTR2CKCNH2
SCHEMBL1063145 0.79 CACNA1I (0.34) HTR2AHTR2CKCNH2
SCHEMBL16935058 0.77 HRH3 (0.34) KCNH2
SCHEMBL29721716 0.76 DAO (0.40) DAOHTR2AHTR2CKCNH2
SCHEMBL4024505 0.75 AGBL2 (0.31)
SCHEMBL3946534 0.75 APLNR (0.37)
SCHEMBL21063772 0.72 RIPK1 (0.37) HTR2AHTR2C
SCHEMBL3038288 0.71 L3MBTL1 (0.33)
SCHEMBL17981982 0.70 SCN9A (0.37)
SCHEMBL2860573 0.70 DAO (0.41) DAOKCNH2

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-2010020810-A1 2-(IMIDAZ0LYLAMIN0)-PYRIDINE DERIVATIVES AND THEIR USE AS JAK KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-02-25 WO disclosed