SCHEMBL21393412

SCHEMBL21393412

C=Nc1nccc(Cl)c1C(C)=O

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 7/20 0.35
JAK2 O60674 4/20 0.35
JAK1 P23458 3/20 0.35
ALDH1A1 P00352 3/20 0.32
THRB P10828 1/20 0.31
GAA P10253 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
SCHEMBL21393825 0.81 CSNK1A1 (0.33) ALDH1A1THRB
SCHEMBL21393794 0.80 KDM4E (0.34) TYK2JAK2JAK1ALDH1A1
SCHEMBL382884 0.76 TYK2 (0.39) TYK2JAK2JAK1ALDH1A1THRB
SCHEMBL30765091 0.76 TYK2 (0.39) TYK2JAK2JAK1ALDH1A1THRB
SCHEMBL27532136 0.73 TYK2 (0.37) TYK2JAK2JAK1ALDH1A1THRB
SCHEMBL9631416 0.68 DPP4 (0.42) TYK2JAK2JAK1ALDH1A1
SCHEMBL21393778 0.68 MEN1 (0.42) ALDH1A1
SCHEMBL22210022 0.67 KDM5A (0.34) TYK2GAA
SCHEMBL27567268 0.67 P2RX7 (0.40) TYK2JAK2JAK1ALDH1A1GAA
SCHEMBL976845 0.64 ALDH1A1 (0.61) TYK2JAK2JAK1ALDH1A1THRB

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-2019182925-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2019-09-26 WO disclosed