SCHEMBL18658798

SCHEMBL18658798

N=N/C(=C\NCc1nc2cnc3ccccc3c2n1C1CCOCC1)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 17/20 0.40
JAK2 O60674 10/20 0.40
JAK3 P52333 7/20 0.39
TYK2 P29597 6/20 0.36
LRRK2 Q5S007 3/20 0.34

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
SCHEMBL18658951 0.89 JAK1 (0.40) JAK1JAK2JAK3TYK2LRRK2
SCHEMBL23935061 0.87 JAK1 (0.41) JAK1JAK2JAK3TYK2LRRK2
SCHEMBL23935119 0.87 JAK1 (0.41) JAK1JAK2JAK3TYK2LRRK2
SCHEMBL18658797 0.86 JAK1 (0.38) JAK1JAK2JAK3TYK2LRRK2
SCHEMBL23935168 0.85 JAK1 (0.42) JAK1JAK2JAK3TYK2LRRK2
SCHEMBL23935057 0.83 JAK1 (0.40) JAK1JAK2JAK3TYK2LRRK2
SCHEMBL23935060 0.82 JAK1 (0.37) JAK1JAK2JAK3TYK2LRRK2
SCHEMBL23935138 0.82 JAK1 (0.41) JAK1JAK2JAK3TYK2LRRK2
SCHEMBL23934969 0.81 JAK1 (0.41) JAK1JAK2JAK3TYK2
SCHEMBL23935181 0.78 JAK1 (0.38) JAK1JAK2JAK3TYK2LRRK2

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
WO-2017046675-A1 NOVEL IMIDAZO [4,5-C] QUINOLINE AND IMIDAZO [4,5-C][1,5] NAPHTHYRIDINE DERIVATIVES AS LRRK2 INHIBITORS PFIZER INC. (US) 2017-03-23 WO disclosed