SCHEMBL30880765

SCHEMBL30880765

O=C(NC[C@@H]1CCCN1)c1cnccn1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 1/20 0.45
ALOX15 P16050 1/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 1/20 0.45
IKBKB O14920 7/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SCN9A Q15858 2/20 0.43
SMYD3 Q9H7B4 1/20 0.43

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
SCHEMBL21722742 1.00 MAPT (0.47) MAPTSMN1; SMN2NPC1ALOX15RAB9A
SCHEMBL30880780 1.00 MAPT (0.47) MAPTSMN1; SMN2NPC1ALOX15RAB9A
SCHEMBL13100525 0.82 POLB (0.58) MAPTSMN1; SMN2IKBKBKDM4EGAA
SCHEMBL13100535 0.78 THRB (0.54) MAPTSMN1; SMN2NPC1RAB9AIKBKB
SCHEMBL8234022 0.78 LMNA (0.62) MAPTSMN1; SMN2NPC1ALOX15RAB9A
SCHEMBL3461687 0.76 NAMPT (0.49) MAPTSMN1; SMN2NPC1ALOX15RAB9A
SCHEMBL3463033 0.76 NAMPT (0.49) MAPTSMN1; SMN2NPC1ALOX15RAB9A
SCHEMBL3456328 0.75 MAPT (0.51) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL30880764 0.74 POLB (0.59) MAPTSMN1; SMN2NPC1ALOX15RAB9A
SCHEMBL21722478 0.74 POLB (0.59) MAPTSMN1; SMN2NPC1ALOX15RAB9A

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
CN-115181092-B Pyrazine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2024-05-03 CN disclosed