SCHEMBL18967907

SCHEMBL18967907

CC1CCCN(c2ncnc3[nH]cc(-c4ccccc4F)c23)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 20/20 1.00
STK4 Q13043 1/20 0.64
STK3 Q13188 1/20 0.64
JAK2 O60674 1/20 0.61
JAK1 P23458 1/20 0.61
JAK3 P52333 1/20 0.61

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
SCHEMBL15402055 1.00 LRRK2 (1.00) LRRK2STK4STK3JAK2JAK1
SCHEMBL15401331 0.86 LRRK2 (1.00) LRRK2STK3JAK2JAK1JAK3
SCHEMBL15401308 0.83 LRRK2 (1.00) LRRK2JAK2JAK1JAK3
SCHEMBL18967685 0.83 LRRK2 (1.00) LRRK2JAK2JAK1JAK3
SCHEMBL18967276 0.81 LRRK2 (1.00) LRRK2JAK2JAK1JAK3
SCHEMBL15400768 0.81 LRRK2 (1.00) LRRK2JAK2JAK1JAK3
SCHEMBL15401761 0.80 LRRK2 (1.00) LRRK2JAK2JAK1JAK3
SCHEMBL18967757 0.80 LRRK2 (0.67) LRRK2JAK2JAK1JAK3
SCHEMBL18967632 0.79 KHK (0.71) LRRK2JAK2JAK1JAK3
SCHEMBL15401385 0.79 LRRK2 (1.00) LRRK2JAK2JAK1JAK3

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