SCHEMBL2664034

SCHEMBL2664034

O=C(N/N=C/c1cccc(C#Cc2ccccn2)c1)c1ccc(O)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADCYAP1R1 P41586 7/20 0.54
POLB P06746 2/20 0.52
KMT2A Q03164 2/20 0.52
AGTR1 P30556 1/20 0.52
GCGR P47871 7/20 0.51
DNM1 Q05193 1/20 0.47
SPHK2 Q9NRA0 1/20 0.46
SPHK1 Q9NYA1 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL2664379 0.91 ADCYAP1R1 (0.60) ADCYAP1R1POLBKMT2AAGTR1GCGR
SCHEMBL9072257 0.86 ADCYAP1R1 (0.57) ADCYAP1R1KMT2AGCGRMEN1
SCHEMBL2664610 0.85 NPC1 (0.56) ADCYAP1R1KMT2AGCGRSPHK2
SCHEMBL9072183 0.82 ADCYAP1R1 (0.55) ADCYAP1R1GCGRSPHK2SPHK1
SCHEMBL9072186 0.82 ADCYAP1R1 (0.63) ADCYAP1R1POLBKMT2AGCGRMEN1
SCHEMBL2664614 0.82 ADCYAP1R1 (0.62) ADCYAP1R1POLBKMT2AGCGRSPHK2
SCHEMBL9072178 0.81 ADCYAP1R1 (0.54) ADCYAP1R1GCGR
SCHEMBL9072193 0.80 AGTR1 (0.64) ADCYAP1R1POLBKMT2AAGTR1GCGR
SCHEMBL9072181 0.79 ADCYAP1R1 (0.55) ADCYAP1R1GCGRSPHK2SPHK1
SCHEMBL2664445 0.79 ADCYAP1R1 (0.61) ADCYAP1R1KMT2AGCGR

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-1999001423-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 1999-01-14 WO disclosed