SCHEMBL7002972

SCHEMBL7002972

COc1c(-c2ccccn2)c(-c2ncn(C)n2)nn2c(-c3ccon3)nnc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.34
CREBBP Q92793 1/20 0.34
DCTPP1 Q9H773 5/20 0.33
MAPT P10636 5/20 0.33
ALDH1A1 P00352 3/20 0.33
TYK2 P29597 1/20 0.33
GABRG2 P18507 4/20 0.32
GABRB3 P28472 4/20 0.32
GABRA5 P31644 4/20 0.32
GABRA1 P14867 3/20 0.32
GABRA3 P34903 3/20 0.32
GABRA2 P47869 3/20 0.32
LRRK2 Q5S007 2/20 0.32
GABRA4 P48169 1/20 0.32
GABRA6 Q16445 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL7001541 0.85 LRRK2 (0.32) GABRG2GABRB3GABRA5LRRK2
SCHEMBL7001199 0.83 HPGD (0.36) HPGDHSD17B10CREBBPDCTPP1MAPT
SCHEMBL7002461 0.69 GABRA1 (0.33) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL7003645 0.69 LRRK2 (0.32) GABRG2GABRB3GABRA5LRRK2
SCHEMBL6995318 0.66 GABRG2 (0.33) MAPTTYK2GABRG2GABRB3GABRA5
SCHEMBL7002883 0.66 GABRA1 (0.32) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL7002447 0.66 GABRA1 (0.35) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL2658702 0.66 GABRA1 (0.44) HPGDHSD17B10ALDH1A1GABRG2GABRB3
SCHEMBL7484271 0.65 GABRA1 (0.52) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL7207868 0.65 GABRA1 (0.45) 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