SCHEMBL27616482

SCHEMBL27616482

COc1cnc(OCCN)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.46
LOXL2 Q9Y4K0 2/20 0.37
LOX P28300 1/20 0.37
APLNR P35414 2/20 0.37
NNMT P40261 2/20 0.36
TAAR1 Q96RJ0 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34
TUBA1A Q71U36 1/20 0.34
TUBA1C Q9BQE3 1/20 0.34
TUBB6 Q9BUF5 1/20 0.34

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
SCHEMBL31445673 0.81 TAAR1 (0.34) TAAR1KDM4E
SCHEMBL20176279 0.81 TAAR1 (0.34) TAAR1KDM4E
SCHEMBL3138241 0.78 SIRT6 (0.56) SIRT6APLNRNNMTKDM4ETUBB4A
SCHEMBL20163486 0.77 TAAR1 (0.34) TAAR1KDM4E
SCHEMBL21066837 0.76 TAAR1 (0.41) TAAR1KDM4E
SCHEMBL8352809 0.74 TAAR1 (0.45) LOXL2LOXTAAR1KDM4E
SCHEMBL19732860 0.71 NOS3 (0.43) TAAR1KDM4E
SCHEMBL619998 0.70
SCHEMBL30197167 0.70
SCHEMBL5860857 0.70 HSP90AA1 (0.39) TAAR1KDM4EMKNK1MKNK2

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
CN-100469770-C 5-substituted-pyrazine or -pyridine glucokinase activators HOFFMANN LA ROCHE (CH) 2009-03-18 CN disclosed
CN-1726197-A 5-substituted-pyrazine or -pyridine glucokinase activators HOFFMANN LA ROCHE (CH) 2006-01-25 CN disclosed