SCHEMBL6999510

SCHEMBL6999510

COc1c(C(C)(C)C)c(-c2ncnn2C)nn2c(-c3cccn3C)nnc12

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 1/20 0.32
PDE2A O00408 1/20 0.30
PDE10A Q9Y233 1/20 0.30
MAPT P10636 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRA3 P34903 1/20 0.30
TYK2 P29597 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
SCHEMBL6995318 0.83 GABRG2 (0.33) GABRG2GABRB3GABRA5PDE2APDE10A
SCHEMBL7003157 0.66 GABRA1 (0.39) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL7001199 0.65 HPGD (0.36) GABRG2GABRB3GABRA5MAPTGABRA1
SCHEMBL7005680 0.64 LRRK2 (0.34) GABRG2GABRB3GABRA3
SCHEMBL7003645 0.64 LRRK2 (0.32) GABRG2GABRB3GABRA5
SCHEMBL6998632 0.63 GABRG2 (0.74) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL7003397 0.61 GABRA1 (0.39) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL27447606 0.60 ALDH1A1 (0.39) PDE2APDE10AMAPT
SCHEMBL18415097 0.60 TYK2 (0.41) GABRG2GABRB3GABRA1GABRA3TYK2
SCHEMBL6994216 0.60 GABRA1 (0.37) GABRG2GABRB3GABRA5GABRA1GABRA3

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