SCHEMBL14881168

SCHEMBL14881168

O=C(O)c1cc(NCCc2ccccc2)ccn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.59
▸ ASPH Q12797 4/20 0.59
▸ KDM8 Q8N371 4/20 0.59
▸ RIOX2 Q8IUF8 3/20 0.59
▸ HTR7 P34969 3/20 0.52
▸ EGLN1 Q9GZT9 1/20 0.49
▸ L3MBTL1 Q9Y468 3/20 0.49
▸ KDM5A P29375 1/20 0.48
▸ KDM5C P41229 1/20 0.48
▸ KDM5B Q9UGL1 1/20 0.48
▸ KDM6B O15054 1/20 0.48
▸ KDM4C Q9H3R0 1/20 0.48
▸ CSNK2A2 P19784 1/20 0.47
▸ CSNK2B P67870 1/20 0.47
▸ CSNK2A1 P68400 1/20 0.47
▸ MCL1 Q07820 1/20 0.47
▸ BCL2A1 Q16548 1/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ MAPT P10636 3/20 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
SCHEMBL6761973 0.85 KDM4E (0.57) KDM4EASPHKDM8RIOX2EGLN1
SCHEMBL23337477 0.74 ACVRL1 (0.55) KDM4EASPHKDM8EGLN1L3MBTL1
SCHEMBL28823850 0.74 HPGD (0.53) KDM4EKMT2AHDAC1
SCHEMBL14875866 0.72 HDAC6 (0.54) HDAC1
SCHEMBL31580871 0.72 KCNK3 (0.52) MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2126506 0.72 F2 (0.71) KDM4EHTR7L3MBTL1KDM6BKDM4C
SCHEMBL608754 0.72 NOX4 (0.61) KDM4EASPHKDM8RIOX2L3MBTL1
SCHEMBL18135105 0.71 KDR (0.48) KDM4EASPHKDM8LMNAHTT
SCHEMBL5521631 0.71 KDM4E (0.52) KDM4EASPHKDM8RIOX2EGLN1
SCHEMBL11259354 0.71 L3MBTL1 (0.63) L3MBTL1KDM6BKDM4CMCL1BCL2A1

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
EP-2794616-A1 PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE F.HOFFMANN-LA ROCHE AG (CH) 2014-10-29 — — EP disclosed
WO-2013057253-A1 PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2013-04-25 — — WO disclosed
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