SCHEMBL28394841

SCHEMBL28394841

NC(=O)Oc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCN(Cc3ccccc3)CC2)n1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.73
CSNK1D P48730 2/20 0.55
MAPK11 Q15759 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MAPK13 O15264 1/20 0.55
PRKD3 O94806 1/20 0.55
MAP4K4 O95819 1/20 0.55
EGFR P00533 1/20 0.55
RAF1 P04049 1/20 0.55
CYP1A2 P05177 1/20 0.55
LCK P06239 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
PRKCA P17252 1/20 0.55
CYP2C19 P33261 1/20 0.55
FRK P42685 1/20 0.55
MAPK9 P45984 1/20 0.55
CSNK1A1 P48729 1/20 0.55
MAPK12 P53778 1/20 0.55
MINK1 Q8N4C8 1/20 0.55

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
SCHEMBL28396556 0.88 MAPK14 (0.68) MAPK14CSNK1DMAPK11KDM4EMAPK13
SCHEMBL20550894 0.86 MAPK14 (0.77) MAPK14CSNK1DCSNK1E
SCHEMBL28397866 0.85 MAPK14 (0.67) MAPK14CSNK1DMAPK11KDM4EMAPK13
SCHEMBL28392090 0.85 MAPK14 (0.65) MAPK14CSNK1DMAPK11KDM4EMAPK13
SCHEMBL4585095 0.85 MAPK14 (1.00) MAPK14CSNK1DMAPK11MAPK13PRKD3
SCHEMBL28396547 0.84 MAPK14 (0.68) MAPK14CSNK1DMAPK11KDM4EMAPK13
SCHEMBL28888499 0.84 MAPK14 (0.68) MAPK14CSNK1DMAPK11KDM4EMAPK13
SCHEMBL28615838 0.83 MAPK14 (0.62) MAPK14CSNK1DMAPK11KDM4EMAPK13
SCHEMBL30035032 0.83 MAPK14 (0.69) MAPK14CSNK1DCSNK1E
SCHEMBL28394795 0.81 MAPK14 (0.59) MAPK14CSNK1DMAPK11KDM4EMAPK13

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-110753688-A Compounds for the treatment of respiratory diseases 墨尔本大学 2020-02-04 CN disclosed