SCHEMBL2545955

SCHEMBL2545955

CC(C)(C)OC(=O)N1CCN(CCCCN(C(N)=NC#N)c2ccncc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.40
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
JAK2 O60674 2/20 0.39
JAK1 P23458 2/20 0.39
ACKR3 P25106 2/20 0.38
TLR8 Q9NR97 1/20 0.37
EPHX2 P34913 4/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL2549671 0.99 GPR119 (0.39) GPR119HRH2HRH1JAK2JAK1
SCHEMBL2574957 0.85 HRH1 (0.35) HRH2HRH1
SCHEMBL28675906 0.72 KEAP1 (0.47) GPR119JAK2JAK1ACKR3EPHX2
Pyrazine SCHEMBL28467340 0.70 TLR8 (0.51) GPR119HRH2HRH1ACKR3TLR8
SCHEMBL4832556 0.69 GPR119 (0.57) GPR119ACKR3POLB
SCHEMBL8207909 0.69 LTA4H (0.36)
SCHEMBL8253901 0.68 USP2 (0.51) ACKR3TLR8EPHX2
SCHEMBL27148828 0.68 GPR119 (0.58) GPR119HRH2HRH1ACKR3
SCHEMBL1714805 0.68 HRH2 (0.68) GPR119HRH2HRH1EPHX2
SCHEMBL7245807 0.67 HRH2 (0.71) GPR119HRH2HRH1EPHX2

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
WO-2011121055-A1 PYRIDINYL DERIVATIVES COMPRISING A CYANOGUANIDINE OR SQUARIC ACID MOIETY TOPOTARGET A/S (DK) 2011-10-06 WO claimed