SCHEMBL7367250

SCHEMBL7367250

O=C(c1ccc(Br)s1)c1cnn2c(-c3cccc(C(F)(F)F)c3)ccnc12

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.67
BRAF P15056 13/20 0.52
CDKN1A P38936 1/20 0.49
TLR8 Q9NR97 1/20 0.47

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
SCHEMBL7365326 0.89 KDM4E (0.67) KDM4EBRAFCDKN1ATLR8
SCHEMBL7366563 0.89 KDM4E (0.67) KDM4EBRAFCDKN1ATLR8
SCHEMBL5820168 0.87 KDM4E (0.70) KDM4EBRAFCDKN1ATLR8
SCHEMBL3175469 0.83 KDM4E (0.83) KDM4EBRAFTLR8
SCHEMBL7370182 0.82 MAP2K1 (0.49) KDM4ECDKN1ATLR8
SCHEMBL7360041 0.82 KDM4E (0.75) KDM4EBRAFTLR8
SCHEMBL11464152 0.82 KDM4E (0.81) KDM4EBRAFTLR8
SCHEMBL7360132 0.82 KDM4E (0.71) KDM4EBRAFTLR8
SCHEMBL7361109 0.81 KDM4E (0.74) KDM4EBRAFTLR8
SCHEMBL8435070 0.81 KDM4E (1.00) 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