SCHEMBL11116760

SCHEMBL11116760

Brc1nnc2ccc(-c3ccccc3)nn12

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.65
HSD17B10 Q99714 1/20 0.65
MET P08581 6/20 0.51
FYN P06241 4/20 0.45
BRD4 O60885 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA2B P29275 1/20 0.44
ADORA1 P30542 1/20 0.44
CREBBP Q92793 1/20 0.44

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
SCHEMBL10808285 0.83 KMT2A (0.58) KDM4EHSD17B10BRD4
SCHEMBL26101880 0.81 FYN (0.48) KDM4EHSD17B10FYNBRD4
SCHEMBL2646931 0.80 KDM4E (0.67) KDM4EHSD17B10METFYNBRD4
SCHEMBL11489169 0.79 KDM4E (0.65) KDM4EHSD17B10BRD4
SCHEMBL4506913 0.79 KDM4E (0.65) KDM4EHSD17B10METFYNBRD4
SCHEMBL10806414 0.79 KDM4E (0.65) KDM4EHSD17B10METFYNBRD4
Hydrochloric Acid SCHEMBL11199042 0.77 KDM4E (0.63) KDM4EHSD17B10METFYNBRD4
SCHEMBL26482633 0.76 POLB (0.57) MET
SCHEMBL2422242 0.75 MET (0.66) KDM4EHSD17B10METFYN
SCHEMBL11472651 0.75 MET (0.62) KDM4EHSD17B10MET

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-0121490-A1 Substituted 6-aryl-1,2,4-triazolo[4,3-b]pyridazines, their preparation and use HOECHST AKTIENGESELLSCHAFT (DE) 1984-10-10 EP disclosed