SCHEMBL7360041

SCHEMBL7360041

O=C(c1ccccc1)c1cnn2c(-c3cccc(C(F)(F)F)c3)ccnc12

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.75
BRAF P15056 14/20 0.61
MAP2K1 Q02750 1/20 0.55
CLK4 Q9HAZ1 1/20 0.55
DYRK1B Q9Y463 1/20 0.55
TLR8 Q9NR97 1/20 0.52

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
SCHEMBL7361109 0.93 KDM4E (0.74) KDM4EBRAFMAP2K1CLK4DYRK1B
SCHEMBL7369441 0.91 KDM4E (0.71) KDM4EBRAFTLR8
SCHEMBL3175469 0.90 KDM4E (0.83) KDM4EBRAFMAP2K1CLK4DYRK1B
SCHEMBL11464152 0.89 KDM4E (0.81) KDM4EBRAFMAP2K1CLK4DYRK1B
SCHEMBL7402736 0.88 KDM4E (0.67) KDM4EBRAFTLR8
SCHEMBL7369186 0.88 KDM4E (0.72) KDM4EBRAFMAP2K1CLK4DYRK1B
SCHEMBL7360518 0.88 KDM4E (0.72) KDM4EBRAFMAP2K1CLK4DYRK1B
SCHEMBL7362754 0.87 KDM4E (0.68) KDM4EBRAFTLR8
SCHEMBL7365203 0.87 KDM4E (0.65) KDM4EBRAF
SCHEMBL7370603 0.86 KDM4E (0.67) KDM4EBRAFTLR8

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 6 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-4847256-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1989-07-11 US disclosed
EP-0264773-A1 4,5-dihydro and 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidines AMERICAN CYANAMID COMPANY (US) 1988-04-27 EP disclosed
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