SCHEMBL7370760

SCHEMBL7370760

Cc1cccnc1C(=O)c1cnn2c(-c3cccc(C(F)(F)F)c3)ccnc12

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.68
BRAF P15056 13/20 0.56
TLR8 Q9NR97 1/20 0.53
GSK3A P49840 2/20 0.46
CDK1 P06493 1/20 0.46
PIM1 P11309 1/20 0.46
MAPKAPK2 P49137 1/20 0.46
PLK1 P53350 1/20 0.46
AURKB Q96GD4 1/20 0.46
EPHA2 P29317 1/20 0.46

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
SCHEMBL7400081 0.89 KDM4E (0.70) KDM4EBRAFTLR8
SCHEMBL10942042 0.89 KDM4E (0.68) KDM4EBRAFTLR8
SCHEMBL7362754 0.85 KDM4E (0.68) KDM4EBRAFTLR8GSK3AEPHA2
SCHEMBL3172240 0.84 KDM4E (0.80) KDM4EBRAFTLR8
SCHEMBL3175469 0.83 KDM4E (0.83) KDM4EBRAFTLR8
SCHEMBL7369186 0.83 KDM4E (0.72) KDM4EBRAFTLR8
SCHEMBL7360041 0.83 KDM4E (0.75) KDM4EBRAFTLR8
SCHEMBL7398348 0.83 KDM4E (0.68) KDM4EBRAFTLR8
SCHEMBL7394656 0.83 MAP2K1 (0.51) KDM4ETLR8GSK3ACDK1PIM1
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