SCHEMBL7361109

SCHEMBL7361109

O=C(c1ccncc1)c1cnn2c(-c3cccc(C(F)(F)F)c3)ccnc12

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.74
BRAF P15056 14/20 0.58
TLR8 Q9NR97 1/20 0.51
MAP2K1 Q02750 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
DYRK1B Q9Y463 1/20 0.48

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
SCHEMBL7360041 0.93 KDM4E (0.75) KDM4EBRAFTLR8MAP2K1CLK4
SCHEMBL7369441 0.90 KDM4E (0.71) KDM4EBRAFTLR8
SCHEMBL7370603 0.87 KDM4E (0.67) KDM4EBRAFTLR8
SCHEMBL7402736 0.87 KDM4E (0.67) KDM4EBRAFTLR8
SCHEMBL3175469 0.87 KDM4E (0.83) KDM4EBRAFTLR8MAP2K1CLK4
SCHEMBL7362754 0.86 KDM4E (0.68) KDM4EBRAFTLR8
SCHEMBL11464152 0.86 KDM4E (0.81) KDM4EBRAFTLR8MAP2K1CLK4
SCHEMBL7365203 0.86 KDM4E (0.65) KDM4EBRAF
SCHEMBL5820168 0.85 KDM4E (0.70) KDM4EBRAFTLR8
SCHEMBL8435070 0.85 KDM4E (1.00) KDM4EBRAFTLR8MAP2K1CLK4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4521422-A ANTICONVULSANT, ANTIEPILEPTIC AGENTS, SEDATIVES, MUSCLE RELAXANTS AMERICAN CYANAMID COMPANY (US) 1985-06-04 US claimed
EP-0129847-A2 Aryl and heteroaryl[7-(aryl and heteroaryl)-pyrazolo-[1,5-a]-pyrimidin-3-yl]methanones AMERICAN CYANAMID COMPANY (US) 1985-01-02 EP claimed
US-4521422-A ANTICONVULSANT, ANTIEPILEPTIC AGENTS, SEDATIVES, MUSCLE RELAXANTS AMERICAN CYANAMID COMPANY (US) 1985-06-04 US disclosed
EP-0129847-A2 Aryl and heteroaryl[7-(aryl and heteroaryl)-pyrazolo-[1,5-a]-pyrimidin-3-yl]methanones AMERICAN CYANAMID COMPANY (US) 1985-01-02 EP disclosed