SCHEMBL18967705

SCHEMBL18967705

N#Cc1cccc(-c2c[nH]c3ncnc(N/C(C=N)=C/N)c23)c1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 20/20 0.67
MST1 P26927 1/20 0.53
STK4 Q13043 1/20 0.53
STK3 Q13188 1/20 0.53
STK26 Q9P289 1/20 0.53

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
SCHEMBL15401532 0.80 LRRK2 (1.00) LRRK2MST1STK4STK3STK26
SCHEMBL15401962 0.76 LRRK2 (1.00) LRRK2MST1STK4STK3STK26
SCHEMBL15401686 0.76 LRRK2 (0.69) LRRK2MST1STK4STK3STK26
SCHEMBL18967270 0.76 LRRK2 (0.69) LRRK2MST1STK4STK3STK26
SCHEMBL15401054 0.76 LRRK2 (0.70) LRRK2MST1STK4STK3STK26
SCHEMBL15401159 0.73 LRRK2 (1.00) LRRK2MST1STK4STK3STK26
SCHEMBL15401685 0.72 LRRK2 (1.00) LRRK2MST1STK4STK3STK26
SCHEMBL15401196 0.71 LRRK2 (1.00) LRRK2MST1STK4STK3STK26
SCHEMBL15401498 0.70 LRRK2 (1.00) LRRK2MST1STK4STK3STK26
SCHEMBL15401845 0.70 LRRK2 (1.00) LRRK2MST1STK4STK3STK26

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
EP-2867236-B1 NOVEL 4-(SUBSTITUTED-AMINO)-7H-PYRROLO[2,3-D]PYRIMIDINES AS LRRK2 INHIBITORS PFIZER (US) 2017-06-14 EP disclosed