SCHEMBL3172246

SCHEMBL3172246

O=Cc1cnn2c(-c3cccc(C(F)(F)F)c3)ccnc12

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.65
BRAF P15056 16/20 0.50
CYP17A1 P05093 1/20 0.46
RAF1 P04049 1/20 0.45
MAPK14 Q16539 1/20 0.45

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
SCHEMBL3173747 0.86 KDM4E (0.63) KDM4EBRAFCYP17A1RAF1MAPK14
SCHEMBL3170908 0.86 KDM4E (0.63) KDM4EBRAFCYP17A1RAF1MAPK14
SCHEMBL9468075 0.81 KDM4E (0.69) KDM4EBRAFCYP17A1RAF1MAPK14
SCHEMBL3155574 0.81 KDM4E (0.69) KDM4EBRAFCYP17A1RAF1MAPK14
SCHEMBL3164198 0.81 KDM4E (0.69) KDM4EBRAFCYP17A1RAF1MAPK14
SCHEMBL4700538 0.81 KDM4E (0.63) KDM4EBRAFCYP17A1RAF1MAPK14
SCHEMBL3175469 0.81 KDM4E (0.83) KDM4EBRAF
SCHEMBL11482468 0.81 CLK4 (0.58) KDM4E
SCHEMBL11464152 0.80 KDM4E (0.81) KDM4EBRAF
SCHEMBL8435070 0.79 KDM4E (1.00) KDM4EBRAF

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
EP-1713808-B1 TWO-PHASE METHOD FOR THE SYNTHESIS OF SELECTED PYRAZOLOPYRIMIDINES MALLINCKRODT INC (US) 2010-02-24 EP claimed
US-4236005-A ANTIANXIETY AMERICAN CYANAMID COMPANY (US) 1980-11-25 US disclosed
US-4178449-A Pyrazolo[1,5-a]pyrimidines and imidazo-[1,5-a]pyrimidines AMERICAN CYANAMID COMPANY (US) 1979-12-11 US disclosed