SCHEMBL6156796

SCHEMBL6156796

NCCNc1ccc(C(N)=O)c(Nc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SYK P43405 15/20 0.71
ZAP70 P43403 4/20 0.71
CAMK1D Q8IU85 3/20 0.71
PRKCE Q02156 1/20 0.70
BTK Q06187 1/20 0.70
ITK Q08881 1/20 0.70
KCNH2 Q12809 1/20 0.50
AURKB Q96GD4 1/20 0.50
BCDIN3D Q7Z5W3 1/20 0.48
CDK1 P06493 1/20 0.48
PRKCA P17252 1/20 0.48

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
SCHEMBL14923850 0.85 SYK (0.71) SYKZAP70CAMK1DPRKCEBTK
SCHEMBL1222899 0.83 SYK (1.00) SYKZAP70CAMK1DPRKCEBTK
SCHEMBL29794661 0.83 SYK (1.00) SYKZAP70CAMK1DPRKCEBTK
SCHEMBL6155805 0.82 SYK (0.71) SYKZAP70CAMK1DPRKCEBTK
SCHEMBL4714405 0.77 SYK (1.00) SYKZAP70CAMK1DPRKCEBTK
SCHEMBL29794721 0.77 SYK (1.00) SYKZAP70CAMK1DPRKCEBTK
SCHEMBL14911307 0.77 SYK (0.61) SYKZAP70CAMK1DPRKCEBTK
SCHEMBL6156450 0.75 SYK (0.80) SYKZAP70CAMK1DPRKCEBTK
SCHEMBL6157007 0.74 SYK (0.79) SYKZAP70CAMK1DPRKCEBTK
SCHEMBL4710801 0.74 SYK (0.76) SYKZAP70CAMK1DPRKCEBTK

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
EP-1184376-B1 NOVEL HETEROCYCLIC CARBOXAMIDE DERIVATIVES YAMANOUCHI PHARMA CO LTD (JP) 2005-02-02 EP claimed
EP-1184376-A1 NOVEL HETEROCYCLIC CARBOXAMIDE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2002-03-06 EP claimed
EP-1184376-B1 NOVEL HETEROCYCLIC CARBOXAMIDE DERIVATIVES YAMANOUCHI PHARMA CO LTD (JP) 2005-02-02 EP disclosed
US-6797706-B1 Heterocyclecarboxamide derivative YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2004-09-28 US disclosed
EP-1184376-A1 NOVEL HETEROCYCLIC CARBOXAMIDE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2002-03-06 EP disclosed