SCHEMBL16739619

SCHEMBL16739619

O=C(O)c1ccc2nc(C(F)(F)F)cn2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
HSP90AA1 P07900 1/20 0.50
KMT2A Q03164 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
SCN5A Q14524 1/20 0.48
MCHR1 Q99705 9/20 0.47
HDAC4 P56524 1/20 0.40
CCNB2 O95067 1/20 0.40
CCNE2 O96020 1/20 0.40
CDK1 P06493 1/20 0.40
CDK4 P11802 1/20 0.40
CCNB1 P14635 1/20 0.40
CCND1 P24385 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
SRD5A2 P31213 2/20 0.39
SMN1; SMN2 Q16637 2/20 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
SCHEMBL30100329 0.86 SCN5A (0.47) KDM4EALDH1A1MEN1HSP90AA1KMT2A
SCHEMBL4781728 0.84 ALDH1A1 (0.53) KDM4EALDH1A1MEN1HSP90AA1KMT2A
SCHEMBL22747159 0.78 HDAC4 (0.52) KDM4EALDH1A1SCN5AMCHR1HDAC4
SCHEMBL9753842 0.76 PTGS1 (0.59) KDM4EALDH1A1MEN1HSP90AA1KMT2A
SCHEMBL1105925 0.75 ALDH1A1 (0.54) KDM4EALDH1A1MEN1HSP90AA1KMT2A
SCHEMBL28360462 0.75 ALDH1A1 (0.50) KDM4EALDH1A1MEN1HSP90AA1KMT2A
SCHEMBL12056714 0.74 SCN5A (0.54) KDM4EALDH1A1MEN1KMT2ASCN5A
SCHEMBL38662516 0.74 MCHR1 (0.53) KDM4EALDH1A1SCN5AMCHR1SMN1; SMN2
SCHEMBL18080888 0.73 SCN5A (0.53) KDM4EALDH1A1HSP90AA1SCN5AMCHR1
SCHEMBL2118968 0.73 SCN5A (0.53) KDM4EALDH1A1SCN5AMCHR1HDAC4

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-3071553-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC Therapeutics, Inc. (US) 2016-09-28 EP disclosed
WO-2015076800-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. (US) 2015-05-28 WO disclosed