SCHEMBL8889019

SCHEMBL8889019

CCCCCCNc1nc(N)cc(N)c1C#N

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 6/20 0.47
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 1/20 0.43
POLB P06746 3/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
CTSL P07711 2/20 0.41
TLR8 Q9NR97 4/20 0.41
LMNA P02545 2/20 0.41
MAPK9 P45984 4/20 0.41
MAPK10 P53779 2/20 0.41
AURKA O14965 1/20 0.38
S1PR2 O95136 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL8889038 0.99 MAPK8 (0.48) MAPK8KDM4EALDH1A1HPGDPOLB
SCHEMBL8888556 0.94 MAPK8 (0.49) MAPK8KDM4EALDH1A1HPGDPOLB
SCHEMBL11447309 0.84 MAPK8 (0.62) MAPK8KDM4EALDH1A1HPGDMAPK9
SCHEMBL11701910 0.80 ADORA1 (0.52) MAPK8KDM4EALDH1A1HPGDKMT2A
SCHEMBL9468248 0.78 MAPK8 (0.46) MAPK8KDM4EALDH1A1HPGDGAA
SCHEMBL13514208 0.74 MAPK8 (0.43) MAPK8MAPK9MAPK10
SCHEMBL11702984 0.74 MAPK8 (0.43) MAPK8KDM4EALDH1A1HPGDGAA
SCHEMBL11608749 0.72 KDM4E (0.40) KDM4EALDH1A1HPGDPOLBGAA
SCHEMBL8963971 0.72 MAPK8 (0.44) MAPK8KDM4EALDH1A1HPGDGAA
SCHEMBL28748293 0.72 ADORA1 (0.56) TLR8

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
US-5602238-A FOR DYEING POLYESTER FIBERS COLORFAST RED SHADES CIBA-GEIGY CORPORATION (US) 1997-02-11 US disclosed
EP-0699718-A2 Azothiophene dyes with a 2,4,6-triamino-3-cyanopyridine coupling component CIBA-GEIGY AG (CH) 1996-03-06 EP disclosed