SCHEMBL6995318

SCHEMBL6995318

COc1c(C(C)(C)C)c(-c2ncn(C)n2)nn2c(-c3cccn3C)nnc12

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
TYK2 P29597 6/20 0.31
JAK1 P23458 1/20 0.31
KCNH2 Q12809 1/20 0.31
PDE2A O00408 1/20 0.31
PDE10A Q9Y233 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL6999510 0.83 GABRG2 (0.32) GABRG2GABRB3GABRA5TYK2PDE2A
SCHEMBL7003397 0.78 GABRA1 (0.39) GABRG2GABRB3GABRA5
SCHEMBL7003405 0.70 GABRA1 (0.39) GABRG2GABRB3GABRA5
SCHEMBL7002972 0.66 HPGD (0.36) GABRG2GABRB3GABRA5TYK2MAPT
SCHEMBL7003157 0.65 GABRA1 (0.39) GABRG2GABRB3GABRA5
SCHEMBL7001541 0.64 LRRK2 (0.32) GABRG2GABRB3GABRA5
SCHEMBL6999772 0.61 GABRA1 (0.46) GABRG2GABRB3GABRA5
SCHEMBL2658448 0.61 GABRG2 (0.50) GABRG2GABRB3GABRA5
SCHEMBL18415032 0.60 TYK2 (0.42) TYK2JAK1KCNH2
SCHEMBL17194889 0.59 TYK2 (0.45) TYK2JAK1KCNH2

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