SCHEMBL28476642

SCHEMBL28476642

Cn1cc(Nc2ccnc(Cl)c2[N+](=O)[O-])cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 2/20 0.41
ALK Q9UM73 4/20 0.39
CDK19 Q9BWU1 3/20 0.39
LRRK2 Q5S007 1/20 0.39
JAK2 O60674 6/20 0.37
CDK2 P24941 2/20 0.37
CDK9 P50750 2/20 0.37
CDC7 O00311 1/20 0.37
DAPK3 O43293 1/20 0.37
ROCK2 O75116 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
PAK4 O96013 1/20 0.37
PIM1 P11309 1/20 0.37
PRKACA P17612 1/20 0.37
SYK P43405 1/20 0.37
CSNK1A1 P48729 1/20 0.37
CLK2 P49760 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37

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
SCHEMBL30388156 0.78 ALK (0.42) BCL6ALKCDK19LRRK2JAK2
SCHEMBL29129582 0.78 MAPT (0.52) JAK2ALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL6214605 0.74 MEN1 (0.53) ALDH1A1HTTSMN1; SMN2L3MBTL1MAPT
SCHEMBL12138409 0.73 ALDH1A1 (0.44) ALDH1A1HTTSMN1; SMN2CA1CA2
SCHEMBL28076893 0.73 MEN1 (0.35) ALDH1A1HTTSMN1; SMN2L3MBTL1CA1
SCHEMBL30615428 0.72 MAPK1 (0.58) ALKCDK19LRRK2ALDH1A1HTT
SCHEMBL17815796 0.71 PRMT1 (0.53) ALDH1A1HTTSMN1; SMN2AURKBCA1
SCHEMBL2708359 0.70 ALDH1A1 (0.38) ALDH1A1HTTSMN1; SMN2L3MBTL1CA1
SCHEMBL7885090 0.70 LMNA (0.41) ALDH1A1SMN1; SMN2CA1CA2CA7
SCHEMBL18803141 0.70 ALDH1A1 (0.36) ALDH1A1HTTSMN1; SMN2CA1CA2

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-111848605-B Substituted pyrido [3,4-b ] pyrazin-2 (1H) -one compound, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-05-02 CN disclosed
CN-111848605-A Substituted pyrido [3,4-b ] pyrazine-2 (1H) -ketone compound, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2020-10-30 CN disclosed