SCHEMBL23744494

SCHEMBL23744494

C#C[C@H]1CN(c2ncc(C#N)cn2)[C@@H](C)CN1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 5/20 0.32
JAK2 O60674 2/20 0.32
JAK1 P23458 2/20 0.32
TYK2 P29597 2/20 0.32
JAK3 P52333 2/20 0.32
GPR119 Q8TDV5 4/20 0.32
KCNH2 Q12809 2/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
KDM1A O60341 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31

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
SCHEMBL23744674 0.83 ROCK2 (0.39) CHRM4JAK2JAK1TYK2JAK3
SCHEMBL23744665 0.83 ROCK2 (0.39) CHRM4JAK2JAK1TYK2JAK3
SCHEMBL26087094 0.83 ROCK2 (0.39) CHRM4JAK2JAK1TYK2JAK3
SCHEMBL23744666 0.83 ROCK2 (0.39) CHRM4JAK2JAK1TYK2JAK3
SCHEMBL23744326 0.73 ROCK2 (0.41) JAK2JAK1TYK2JAK3GPR119
SCHEMBL23744678 0.73 ROCK2 (0.41) JAK2JAK1TYK2JAK3GPR119
SCHEMBL23744780 0.69 HTR2A (0.40) CHRM4JAK2JAK1TYK2JAK3
SCHEMBL23744679 0.68 HTR2A (0.46) CHRM4JAK2JAK1TYK2JAK3
SCHEMBL26087038 0.68 HTR2A (0.46) CHRM4JAK2JAK1TYK2JAK3
SCHEMBL29432021 0.67 CHRNB2 (0.61) CHRNB2CHRNA4

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-2021158698-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. (US) 2021-08-12 WO disclosed