SCHEMBL23934978

SCHEMBL23934978

Nc1ccccc1NCc1nc2cnc3ccccc3c2n1C1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 15/20 0.41
JAK2 O60674 9/20 0.41
JAK3 P52333 6/20 0.38
TYK2 P29597 5/20 0.37
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
ATM Q13315 1/20 0.36
ATR Q13535 1/20 0.36
LRRK2 Q5S007 3/20 0.35

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
SCHEMBL23935138 0.80 JAK1 (0.41) JAK1JAK2JAK3TYK2ATM
SCHEMBL23935168 0.80 JAK1 (0.42) JAK1JAK2JAK3TYK2LRRK2
SCHEMBL23935061 0.78 JAK1 (0.41) JAK1JAK2JAK3TYK2LRRK2
SCHEMBL23935057 0.77 JAK1 (0.40) JAK1JAK2JAK3TYK2LRRK2
SCHEMBL23934969 0.76 JAK1 (0.41) JAK1JAK2JAK3TYK2
SCHEMBL18658798 0.75 JAK1 (0.40) JAK1JAK2JAK3TYK2LRRK2
SCHEMBL18658951 0.75 JAK1 (0.40) JAK1JAK2JAK3TYK2LRRK2
SCHEMBL18606613 0.75 LRRK2 (0.43) JAK1JAK2JAK3LRRK2
SCHEMBL23935181 0.74 JAK1 (0.38) JAK1JAK2JAK3TYK2LRRK2
SCHEMBL18606385 0.74 LRRK2 (0.59) JAK1JAK2JAK3LRRK2

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