SCHEMBL7003645

SCHEMBL7003645

COc1c(C2=CC=C2)c(-c2ncnn2C)nn2c(-c3ccon3)nnc12

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.32
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 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
SCHEMBL7005680 0.85 LRRK2 (0.34) LRRK2GABRG2GABRB3
SCHEMBL7001199 0.85 HPGD (0.36) LRRK2GABRG2GABRB3GABRA5
SCHEMBL7001541 0.83 LRRK2 (0.32) LRRK2GABRG2GABRB3GABRA5
SCHEMBL7002883 0.83 GABRA1 (0.32) LRRK2GABRG2GABRB3GABRA5
SCHEMBL7002461 0.82 GABRA1 (0.33) LRRK2GABRG2GABRB3GABRA5
SCHEMBL7002972 0.69 HPGD (0.36) LRRK2GABRG2GABRB3GABRA5
SCHEMBL2659145 0.66 GABRG2 (0.57) GABRG2GABRB3GABRA5
SCHEMBL7005019 0.65 GABRA1 (0.34) GABRG2GABRB3GABRA5
SCHEMBL7002447 0.64 GABRA1 (0.35) LRRK2GABRG2GABRB3GABRA5
SCHEMBL7003232 0.64 GABRA1 (0.34) GABRG2GABRB3GABRA5

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-1107967-B1 TRIAZOLOPYRIDAZINE DERIVATIVES FOR ENHANCING COGNITION MERCK SHARP & DOHME (GB) 2003-05-14 EP claimed