SCHEMBL8963971

SCHEMBL8963971

C=CCNc1nc(N)cc(N)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.44
HPGD P15428 4/20 0.41
ALDH1A1 P00352 10/20 0.38
KDM4E B2RXH2 7/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 3/20 0.38
KLK7 P49862 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HIF1A Q16665 2/20 0.38
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
GAA P10253 3/20 0.35
LMNA P02545 3/20 0.35
HTT P42858 2/20 0.35
MTOR P42345 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
CYP3A4 P08684 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.34

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
SCHEMBL11447309 0.81 MAPK8 (0.62) MAPK8HPGDALDH1A1KDM4EMAPK9
SCHEMBL11701910 0.77 ADORA1 (0.52) MAPK8HPGDALDH1A1KDM4EMEN1
SCHEMBL8888556 0.75 MAPK8 (0.49) MAPK8HPGDALDH1A1KDM4EMAPK9
SCHEMBL11702984 0.74 MAPK8 (0.43) MAPK8HPGDALDH1A1KDM4EMEN1
SCHEMBL11704744 0.74 MAPK8 (0.54) MAPK8HPGDALDH1A1KDM4EMEN1
SCHEMBL8889038 0.74 MAPK8 (0.48) MAPK8HPGDALDH1A1KDM4EMEN1
SCHEMBL11454176 0.73 MAPK8 (0.45) MAPK8HPGDALDH1A1KDM4EMAPK9
SCHEMBL8889019 0.72 MAPK8 (0.47) MAPK8HPGDALDH1A1KDM4EKMT2A
SCHEMBL11642106 0.71 MAPK8 (0.43) MAPK8HPGDALDH1A1KDM4EMAPT
SCHEMBL11581534 0.71 ALDH1A1 (0.42) HPGDALDH1A1KDM4EMEN1KMT2A

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-0463995-B1 Azo dyestuffs with 2-alkylamino-3-cyano-4,6-diaminopyridines as coupling components CIBA GEIGY AG (CH) 1996-02-21 EP disclosed
EP-0463995-A1 Azo dyestuffs with 2-alkylamino-3-cyano-4,6-diaminopyridines as coupling components CIBA-GEIGY AG (CH) 1992-01-02 EP disclosed