SCHEMBL14040916

SCHEMBL14040916

COc1cc(-c2ccnc(Nc3ccccc3)n2)cc2c1OCO2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 3/20 0.53
DYRK1A Q13627 3/20 0.53
CLK4 Q9HAZ1 3/20 0.53
DYRK1B Q9Y463 3/20 0.53
CLK2 P49760 2/20 0.53
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
HPGD P15428 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
EPHB4 P54760 3/20 0.47
PRKCA P17252 2/20 0.47
PRKCD Q05655 2/20 0.47
PRKD3 O94806 1/20 0.47
PRKCG P05129 1/20 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
SCHEMBL6497264 0.81 ABL1 (0.53) MAPTPRKCAPRKCDPIK3CGPIK3CA
SCHEMBL8253883 0.81 ZAP70 (0.68) PRKCAPRKCDPRKD3PRKCGPRKCB
SCHEMBL12764230 0.81 PRKCA (0.56) CLK4DYRK1BMEN1KMT2APRKCA
SCHEMBL14088787 0.78 JAK2 (0.59) DYRK1ACLK4MEN1KMT2APRKCA
SCHEMBL6981394 0.75 CLK1 (0.69) CLK1DYRK1ACLK4DYRK1BCLK2
SCHEMBL22181808 0.73 EPHB4 (0.51) EPHB4EGFRAURKACDK2
SCHEMBL14253944 0.73 IKBKB (0.61) MEN1KMT2APRKCAPRKCDPRKD3
SCHEMBL27116600 0.72 ABL1 (0.57) MEN1MAPTKMT2APRKCAPRKCD
SCHEMBL22181818 0.72 EPHB4 (0.49) MEN1KMT2ALMNAEPHB4EGFR
SCHEMBL10977837 0.71 PIK3CG (0.78) MEN1ALDH1A1MAPTKMT2ALMNA

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-1373257-B9 INHIBITORS OF C-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES VERTEX PHARMA (US) 2008-10-15 EP disclosed
EP-1373257-B1 INHIBITORS OF C-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES VERTEX PHARMA (US) 2007-11-28 EP disclosed