SCHEMBL18967936

SCHEMBL18967936

COc1ccccc1-c1c[nH]c2ncnc(N3CCC(F)C3)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 19/20 1.00
STK4 Q13043 1/20 0.70
STK3 Q13188 1/20 0.70
JAK2 O60674 1/20 0.55
JAK3 P52333 1/20 0.55

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
SCHEMBL15400637 1.00 LRRK2 (1.00) LRRK2STK4STK3JAK2JAK3
SCHEMBL15401507 0.94 LRRK2 (1.00) LRRK2STK4STK3JAK2JAK3
SCHEMBL18967352 0.90 LRRK2 (1.00) LRRK2STK4STK3JAK2JAK3
SCHEMBL15401851 0.90 LRRK2 (1.00) LRRK2STK4STK3JAK2JAK3
SCHEMBL15401985 0.85 LRRK2 (1.00) LRRK2JAK2JAK3
SCHEMBL15401309 0.85 LRRK2 (1.00) LRRK2STK4STK3
SCHEMBL15402600 0.84 LRRK2 (1.00) LRRK2STK4STK3JAK2JAK3
SCHEMBL15401524 0.83 LRRK2 (1.00) LRRK2STK4STK3JAK2JAK3
SCHEMBL15400833 0.83 LRRK2 (0.81) LRRK2STK4STK3
SCHEMBL15401359 0.82 LRRK2 (1.00) LRRK2STK4STK3

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