SCHEMBL28608792

SCHEMBL28608792

Fc1ccc(-c2ncn(C3CCCCC3)c2-c2ccnc(NC3CCCCC3)n2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.70
MAPK13 O15264 2/20 0.70
CSNK1D P48730 2/20 0.70
MAPK12 P53778 2/20 0.70
MAPK11 Q15759 2/20 0.70
EGFR P00533 1/20 0.70
CSNK1E P49674 1/20 0.70
KCNH2 Q12809 1/20 0.70
BRD4 O60885 2/20 0.58
BRDT Q58F21 2/20 0.58
BRD2 P25440 1/20 0.58
BRD3 Q15059 1/20 0.58
RIPK2 O43353 1/20 0.57
DYRK3 O43781 1/20 0.57
PRKD3 O94806 1/20 0.57
MAP4K4 O95819 1/20 0.57
PRKCG P05129 1/20 0.57
LCK P06239 1/20 0.57
LYN P07948 1/20 0.57
RET P07949 1/20 0.57

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
SCHEMBL29842187 1.00 MAPK14 (0.70) MAPK14MAPK13CSNK1DMAPK12MAPK11
SCHEMBL29841951 1.00 MAPK14 (0.70) MAPK14MAPK13CSNK1DMAPK12MAPK11
SCHEMBL28615850 1.00 MAPK14 (0.70) MAPK14MAPK13CSNK1DMAPK12MAPK11
SCHEMBL20550491 0.99 MAPK14 (0.69) MAPK14MAPK13CSNK1DMAPK12MAPK11
SCHEMBL29841960 0.98 MAPK14 (0.70) MAPK14MAPK13CSNK1DMAPK12MAPK11
SCHEMBL28607656 0.98 MAPK14 (0.70) MAPK14MAPK13CSNK1DMAPK12MAPK11
SCHEMBL29841930 0.95 MAPK14 (0.67) MAPK14MAPK13CSNK1DMAPK12MAPK11
SCHEMBL28601290 0.95 MAPK14 (0.67) MAPK14MAPK13CSNK1DMAPK12MAPK11
SCHEMBL29842097 0.93 MAPK14 (0.65) MAPK14MAPK13CSNK1DMAPK12MAPK11
SCHEMBL28610718 0.93 MAPK14 (0.65) MAPK14MAPK13CSNK1DMAPK12MAPK11

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-113272298-A Compounds and compositions for the treatment of respiratory diseases 墨尔本大学 2021-08-17 CN disclosed