SCHEMBL23934996

SCHEMBL23934996

N=C1C=CC=C/C1=C/NCc1nc2cnc3ccc(F)cc3c2n1C1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 18/20 0.45
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
ATM Q13315 1/20 0.37
ATR Q13535 1/20 0.37

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
SCHEMBL23935181 0.88 JAK1 (0.38) LRRK2JAK2JAK1JAK3
SCHEMBL23935069 0.79 LRRK2 (0.48) LRRK2JAK2JAK1JAK3
SCHEMBL23935049 0.78 LRRK2 (0.48) LRRK2JAK2JAK1JAK3
SCHEMBL25022236 0.74 LRRK2 (0.50) LRRK2JAK2JAK1JAK3
SCHEMBL18606372 0.73 LRRK2 (0.57) LRRK2
SCHEMBL18606370 0.72 LRRK2 (0.62) LRRK2JAK2JAK3
SCHEMBL23935057 0.72 JAK1 (0.40) LRRK2JAK2JAK1JAK3
SCHEMBL25020969 0.71 LRRK2 (0.78) LRRK2
SCHEMBL23935240 0.71 LRRK2 (0.66) LRRK2
SCHEMBL25020888 0.71 LRRK2 (0.79) LRRK2

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-3350178-B1 NOVEL IMIDAZO [4,5-C]QUINOLINE AND IMIDAZO [4,5-C][1,5]NAPHTHYRIDINE DERIVATIVES AS LRRK2 INHIBITORS PFIZER (US) 2021-10-20 EP disclosed