SCHEMBL28680202

SCHEMBL28680202

Nc1cnn(-c2c[c]ccc2)c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
HPGDS O60760 1/20 0.34
ALKBH2 Q6NS38 1/20 0.34
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3616893 0.79 GAA (0.37) GAAHPGDSALKBH2ALDH1A1NPC1
SCHEMBL221485 0.77 GAA (0.59) GAAHPGDSALKBH2MAPTNPC1
SCHEMBL1569965 0.77 EPHX2 (0.47) GAAHPGDSALKBH2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL18397939 0.76 GAA (0.57) GAAHPGDSALKBH2MAPTNPC1
SCHEMBL28592022 0.76 RAB9A (0.37) GAAALDH1A1MAPTNPC1RAB9A
SCHEMBL2121774 0.71 CYP2A6 (0.53) GAAL3MBTL1
SCHEMBL6733486 0.71 GAA (0.41) GAAHPGDSALKBH2ALDH1A1MAPT
SCHEMBL160432 0.69 NOTUM (0.48) GAAALDH1A1MAPTNPC1
SCHEMBL29431733 0.69 EPHX2 (0.49) GAAHPGDSALKBH2ALDH1A1MAPT
SCHEMBL27638750 0.69 NPC1 (0.50) MAPTNPC1RAB9A

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-113710664-A JAK1 selective kinase inhibitors 迪哲(江苏)医药股份有限公司 2021-11-26 CN disclosed