SCHEMBL17166242

SCHEMBL17166242

Cc1cc(C2CN(c3ncnc4[nH]cc(-c5cccc(C#N)c5)c34)CCO2)no1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 19/20 0.78
STK3 Q13188 7/20 0.78
STK26 Q9P289 4/20 0.77
CHEK1 O14757 1/20 0.71
CHEK2 O96017 1/20 0.71

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
SCHEMBL15401258 0.88 LRRK2 (1.00) LRRK2STK3STK26CHEK1CHEK2
SCHEMBL15400611 0.88 LRRK2 (1.00) LRRK2STK3STK26CHEK1CHEK2
SCHEMBL15401040 0.87 LRRK2 (1.00) LRRK2STK3STK26CHEK1CHEK2
SCHEMBL18967695 0.86 LRRK2 (1.00) LRRK2STK3STK26CHEK1CHEK2
SCHEMBL15401366 0.86 LRRK2 (1.00) LRRK2STK3STK26CHEK1CHEK2
SCHEMBL15401754 0.86 LRRK2 (1.00) LRRK2STK3STK26CHEK1CHEK2
SCHEMBL15400876 0.86 LRRK2 (1.00) LRRK2STK3STK26CHEK1CHEK2
SCHEMBL15401225 0.86 LRRK2 (0.77) LRRK2STK3STK26CHEK1CHEK2
SCHEMBL15402058 0.84 LRRK2 (1.00) LRRK2STK3STK26CHEK1CHEK2
SCHEMBL15400854 0.84 LRRK2 (1.00) LRRK2STK3STK26CHEK1CHEK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9156845-B2 4-(substituted amino)-7H-pyrrolo[2,3-d] pyrimidines as LRRK2 inhibitors PFIZER INC. (US) 2015-10-13 US disclosed
US-9156845-B2 4-(substituted amino)-7H-pyrrolo[2,3-d] pyrimidines as LRRK2 inhibitors PFIZER INC. (US) 2015-10-13 US disclosed