SCHEMBL12066138

SCHEMBL12066138

COc1cc(C(=O)N2CCC(N)CC2)ccc1Nc1ncc(Br)c(OC)n1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 20/20 0.78
▸ JAK2 O60674 1/20 0.63

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
SCHEMBL7459217 0.88 LRRK2 (0.81) LRRK2JAK2
SCHEMBL7453469 0.88 LRRK2 (0.81) LRRK2JAK2
SCHEMBL7450050 0.88 LRRK2 (1.00) LRRK2JAK2
SCHEMBL12066684 0.86 LRRK2 (0.77) LRRK2JAK2
SCHEMBL7457990 0.86 LRRK2 (1.00) LRRK2JAK2
SCHEMBL12066135 0.85 LRRK2 (0.82) LRRK2JAK2
SCHEMBL14556225 0.83 LRRK2 (0.94) LRRK2JAK2
SCHEMBL7456000 0.82 LRRK2 (1.00) LRRK2JAK2
SCHEMBL7445505 0.81 LRRK2 (1.00) LRRK2JAK2
SCHEMBL7451486 0.81 LRRK2 (0.86) LRRK2JAK2

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-2011151360-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-08 — — WO disclosed
Send feedback