SCHEMBL21850293

SCHEMBL21850293

CCOc1nc(Nc2cnn(CCN3CCCC3)c2C)nc2[nH]ccc12

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 20/20 0.49
SLCO1B1 Q9Y6L6 1/20 0.47

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
SCHEMBL16985597 0.93 LRRK2 (0.55) LRRK2SLCO1B1
SCHEMBL16985491 0.88 LRRK2 (0.46) LRRK2SLCO1B1
SCHEMBL16985593 0.88 LRRK2 (0.46) LRRK2SLCO1B1
SCHEMBL16985521 0.88 LRRK2 (0.51) LRRK2SLCO1B1
SCHEMBL18383175 0.88 LRRK2 (0.51) LRRK2SLCO1B1
SCHEMBL16985503 0.87 LRRK2 (0.49) LRRK2SLCO1B1
SCHEMBL16985596 0.85 LRRK2 (0.49) LRRK2SLCO1B1
SCHEMBL16985580 0.85 LRRK2 (0.49) LRRK2SLCO1B1
SCHEMBL18383170 0.85 LRRK2 (0.48) LRRK2SLCO1B1
SCHEMBL16985517 0.84 LRRK2 (0.54) LRRK2SLCO1B1

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-3099695-B1 COMPOUNDS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-04-08 EP disclosed