SCHEMBL2576002

SCHEMBL2576002

Cn1cc(OC(N)=O)c(C(F)F)n1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 6/20 0.33
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
GAA P10253 1/20 0.31

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
SCHEMBL1136291 0.85 GAA (0.31) IRAK4GAA
SCHEMBL27753360 0.85 CYP4F2 (0.34) IRAK4GAA
SCHEMBL1396811 0.84 KDM4E (0.36) IRAK4GAA
SCHEMBL1135830 0.84 IRAK4 (0.33) IRAK4GAA
SCHEMBL27774048 0.83 HIF1A (0.37) IRAK4ADORA2AADORA1GAA
SCHEMBL3118115 0.80 ALDH1A1 (0.34)
SCHEMBL1012200 0.79 ADORA2A (0.36) ADORA2AADORA1GAA
SCHEMBL18210197 0.78 ALOX5 (0.33) ADORA2AADORA1
SCHEMBL16703727 0.76 ADORA2A (0.38) ADORA2AADORA1GAA
SCHEMBL4563231 0.76 TSHR (0.32) IRAK4GAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2381770-A2 GEL FORMULATIONS THAT ARE STABLE FOR STORAGE, COMPRISING AT LEAST TWO SUBSTANTIALLY UN-MIXED HYDROGELS BASF SE (DE) 2011-11-02 EP disclosed