SCHEMBL5820168

SCHEMBL5820168

O=C(c1cccs1)c1cnn2c(-c3cccc(C(F)(F)F)c3)ccnc12

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.70
CDKN1A P38936 1/20 0.64
BRAF P15056 12/20 0.54
CNR2 P34972 1/20 0.49
TLR8 Q9NR97 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
SCHEMBL5820118 0.88 BRAF (0.73) CDKN1ABRAF
SCHEMBL5821447 0.87 CDKN1A (0.67) KDM4ECDKN1ABRAFTLR8
SCHEMBL7367250 0.87 KDM4E (0.67) KDM4ECDKN1ABRAFTLR8
SCHEMBL5800515 0.86 CDKN1A (0.66) KDM4ECDKN1ABRAF
SCHEMBL7361109 0.85 KDM4E (0.74) KDM4EBRAFTLR8
SCHEMBL5796875 0.85 CDKN1A (0.67) KDM4ECDKN1ABRAFTLR8
SCHEMBL5807609 0.85 CDKN1A (0.67) KDM4ECDKN1ABRAFTLR8
SCHEMBL5823332 0.85 CDKN1A (0.67) KDM4ECDKN1ABRAFTLR8
SCHEMBL7365326 0.85 KDM4E (0.67) KDM4ECDKN1ABRAFTLR8
SCHEMBL7366563 0.85 KDM4E (0.67) KDM4ECDKN1ABRAFTLR8

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 3 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
WO-2006033795-A2 SUBSTITUTED PYRAZOLO [1, 5-A] PYRIMIDINES FOR INHIBITING ABNORMAL CELL GROWTH WYETH (US) 2006-03-30 WO disclosed