SCHEMBL8891696

SCHEMBL8891696

CCC(Nc1nc(N)cc(N)c1C#N)OC(C)Oc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 12/20 0.38
RPS27 P42677 4/20 0.38
MAPK9 P45984 9/20 0.36
PRKD3 O94806 2/20 0.34
MAPK10 P53779 4/20 0.34
PIK3CD O00329 6/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
PIK3CA P42336 2/20 0.32
PIK3CB P42338 1/20 0.32
CHUK O15111 1/20 0.32
MAP4K4 O95819 1/20 0.32
CDK2 P24941 1/20 0.32
CLK2 P49760 1/20 0.32
ITK Q08881 1/20 0.32
MAP4K2 Q12851 1/20 0.32
PASK Q96RG2 1/20 0.32
SRPK1 Q96SB4 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32

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
SCHEMBL11326488 0.91 ALDH1A1 (0.37) MAPK8RPS27PIK3CDADORA2AADORA1
SCHEMBL9468243 0.86 MAPK8 (0.41) MAPK8RPS27MAPK9PRKD3MAPK10
SCHEMBL11454175 0.83 MAPK8 (0.43) MAPK8RPS27MAPK9PRKD3MAPK10
SCHEMBL11504985 0.81 AURKA (0.41)
SCHEMBL8891710 0.81 MAPK8 (0.40) MAPK8RPS27MAPK9PRKD3MAPK10
SCHEMBL11506763 0.75 KDM4E (0.31)
SCHEMBL9468250 0.73 MAPK8 (0.38) MAPK8RPS27MAPK9PRKD3MAPK10
SCHEMBL11504964 0.73 MEN1 (0.42) ADORA2AADORA2BADORA1
SCHEMBL10611877 0.72 CYP2D6 (0.43) MAPK8RPS27PIK3CDPIK3CAPIK3CB
SCHEMBL11642103 0.69 MAPK8 (0.41) MAPK8RPS27MAPK9PRKD3MAPK10

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 5 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
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
US-5196521-A Colorfastness; red; polyesters CIBA-GEIGY CORPORATION (US) 1993-03-23 US 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