SCHEMBL14059181

SCHEMBL14059181

N#Cc1nnc2cc(-c3ccc(Br)cc3)ccc2c1NCCC1CC1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 15/20 0.46
▸ PRKCQ Q04759 1/20 0.35
▸ CSF1R P07333 1/20 0.30
▸ ERBB2 P04626 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL14059769 0.90 LRRK2 (0.46) LRRK2
SCHEMBL14059647 0.89 LRRK2 (0.46) LRRK2PRKCQ
SCHEMBL14059413 0.85 LRRK2 (0.46) LRRK2PRKCQ
SCHEMBL14059572 0.85 LRRK2 (0.49) LRRK2PRKCQ
SCHEMBL14059307 0.85 LRRK2 (0.66) LRRK2CSF1R
SCHEMBL14059792 0.82 LRRK2 (0.37) LRRK2ERBB2
SCHEMBL14060226 0.82 LRRK2 (0.44) LRRK2ALDH1A1
SCHEMBL14059259 0.82 LRRK2 (0.46) LRRK2PRKCQ
SCHEMBL14059866 0.81 LRRK2 (0.48) LRRK2
SCHEMBL14059316 0.81 LRRK2 (0.48) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2726465-A1 INHIBITORS OF LRRK2 KINASE ACTIVITY Elan Pharmaceuticals Inc. (US) 2014-05-07 — — EP disclosed
WO-2012162254-A1 INHIBITORS OF LRRK2 KINASE ACTIVITY ELAN PHARMACEUTICALS, INC. (US) 2012-11-29 — — WO disclosed
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