SCHEMBL7402736

SCHEMBL7402736

CN(C)c1ccc(C(=O)c2cnn3c(-c4cccc(C(F)(F)F)c4)ccnc23)cc1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.67
BRAF P15056 15/20 0.62
RAF1 P04049 1/20 0.49
MAPK14 Q16539 1/20 0.49
TLR8 Q9NR97 1/20 0.49

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 0.88 KDM4E (0.75) KDM4EBRAFTLR8
SCHEMBL7361109 0.87 KDM4E (0.74) KDM4EBRAFTLR8
SCHEMBL7362754 0.86 KDM4E (0.68) KDM4EBRAFTLR8
SCHEMBL7369441 0.83 KDM4E (0.71) KDM4EBRAFTLR8
SCHEMBL7369092 0.83 KDM4E (0.65) KDM4EBRAFTLR8
SCHEMBL7370603 0.83 KDM4E (0.67) KDM4EBRAFTLR8
SCHEMBL3172240 0.83 KDM4E (0.80) KDM4EBRAFTLR8
SCHEMBL3175469 0.83 KDM4E (0.83) KDM4EBRAFTLR8
SCHEMBL7366385 0.82 MAP2K1 (0.49) KDM4EBRAFTLR8
SCHEMBL11464152 0.82 KDM4E (0.81) 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 2 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 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