SCHEMBL7369092

SCHEMBL7369092

COc1ccc(C(=O)c2cnn3c(-c4cccc(C(F)(F)F)c4)ccnc23)cn1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.65
BRAF P15056 14/20 0.59
DYRK3 O43781 1/20 0.50
CCNT1 O60563 1/20 0.50
CCNA2 P20248 1/20 0.50
CDK2 P24941 1/20 0.50
CDK9 P50750 1/20 0.50
CDK5 Q00535 1/20 0.50
DYRK1A Q13627 1/20 0.50
CDK5R1 Q15078 1/20 0.50
DYRK2 Q92630 1/20 0.50
DYRK1B Q9Y463 1/20 0.50
TLR8 Q9NR97 1/20 0.48
MAPK13 O15264 1/20 0.46
PIM1 P11309 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
SCHEMBL7360041 0.85 KDM4E (0.75) KDM4EBRAFDYRK1BTLR8
SCHEMBL7362754 0.84 KDM4E (0.68) KDM4EBRAFTLR8
SCHEMBL7369441 0.84 KDM4E (0.71) KDM4EBRAFTLR8
SCHEMBL7361109 0.84 KDM4E (0.74) KDM4EBRAFDYRK1BTLR8
SCHEMBL7402736 0.83 KDM4E (0.67) KDM4EBRAFTLR8
SCHEMBL7365839 0.83 KDM4E (0.50) KDM4EBRAFDYRK1BTLR8MAPK13
SCHEMBL7404980 0.83 KDM4E (0.66) KDM4EBRAFTLR8MAPK13PIM1
SCHEMBL7370603 0.81 KDM4E (0.67) KDM4EBRAFTLR8
SCHEMBL3172240 0.81 KDM4E (0.80) KDM4EBRAFTLR8
SCHEMBL3175469 0.81 KDM4E (0.83) KDM4EBRAFDYRK1BTLR8

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