SCHEMBL28098526

SCHEMBL28098526

N=C(N)c1nccc(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
ASPH Q12797 1/20 0.37
KDM8 Q8N371 1/20 0.37

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
Hydrochloric Acid SCHEMBL20599691 0.98 KDM4E (0.36) KDM4EASPHKDM8
SCHEMBL2696087 0.79 KDM4E (0.46) KDM4EASPHKDM8
SCHEMBL13886916 0.75 MAPT (0.38) KDM4E
SCHEMBL30931204 0.75 MAPT (0.38) KDM4E
Hydrochloric Acid SCHEMBL3142889 0.73 MAPT (0.37) KDM4E
Formic Acid SCHEMBL2588636 0.73 KDM4E (0.41) KDM4EASPHKDM8
SCHEMBL15555561 0.72 KDM4E (0.47) KDM4EASPHKDM8
SCHEMBL644769 0.72 KDM4E (0.68) KDM4EASPHKDM8
SCHEMBL28401793 0.70
SCHEMBL28410376 0.68 LMNA (0.33) KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104302626-B 4, 4-disubstituted-1, 4-dihydropyrimidines and their use as medicaments for the treatment of hepatitis b 爱尔兰詹森科学公司 2016-09-07 CN disclosed