SCHEMBL18967909

SCHEMBL18967909

CC1CCCN(c2ncnc3[nH]cc(-c4cccc(C(N)=O)c4)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
▸ JAK2 O60674 1/20 0.71
▸ JAK1 P23458 1/20 0.71
▸ JAK3 P52333 1/20 0.71
▸ STK4 Q13043 1/20 0.68
▸ STK3 Q13188 1/20 0.68

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
SCHEMBL15401511 1.00 LRRK2 (1.00) LRRK2JAK2JAK1JAK3STK4
SCHEMBL15402333 0.93 LRRK2 (1.00) LRRK2JAK2JAK1JAK3
SCHEMBL18967910 0.93 LRRK2 (1.00) LRRK2JAK2JAK1JAK3
SCHEMBL18967279 0.90 LRRK2 (1.00) LRRK2JAK2JAK1JAK3
SCHEMBL15401095 0.90 LRRK2 (1.00) LRRK2JAK2JAK1JAK3
SCHEMBL18967666 0.87 LRRK2 (1.00) LRRK2JAK2JAK1JAK3
SCHEMBL15401398 0.87 LRRK2 (1.00) LRRK2JAK2JAK1JAK3
SCHEMBL15401300 0.85 LRRK2 (1.00) LRRK2JAK2JAK1JAK3
SCHEMBL15401331 0.85 LRRK2 (1.00) LRRK2JAK2JAK1JAK3STK3
SCHEMBL15401212 0.84 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
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