SCHEMBL28394331

SCHEMBL28394331

CCn1cnc(-c2ccc(F)cc2)c1-c1ccnc(OC(N)=O)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.62
TGFBR1 P36897 3/20 0.53
TGFBR2 P37173 3/20 0.53
MAPK13 O15264 3/20 0.50
MAPK12 P53778 3/20 0.50
MAPK11 Q15759 3/20 0.50
CSNK1D P48730 3/20 0.48
PRKD3 O94806 2/20 0.48
MAP4K4 O95819 2/20 0.48
PRKCA P17252 2/20 0.48
CSNK1A1 P48729 2/20 0.48
MINK1 Q8N4C8 2/20 0.48
MAP4K5 Q9Y4K4 2/20 0.48
KDM4E B2RXH2 1/20 0.48
EGFR P00533 1/20 0.48
RAF1 P04049 1/20 0.48
CYP1A2 P05177 1/20 0.48
LCK P06239 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL28609334 0.90 MAPK14 (0.60) MAPK14TGFBR1TGFBR2MAPK13MAPK12
SCHEMBL28391816 0.86 MAPK14 (0.55) MAPK14TGFBR1TGFBR2MAPK13MAPK12
SCHEMBL28393104 0.84 MAPK14 (0.63) MAPK14TGFBR1TGFBR2MAPK13MAPK12
SCHEMBL28391796 0.84 MAPK14 (0.62) MAPK14TGFBR1TGFBR2MAPK13MAPK12
SCHEMBL28400055 0.83 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL28610584 0.82 MAPK14 (0.60) MAPK14TGFBR1TGFBR2MAPK13MAPK12
SCHEMBL28396556 0.81 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL20550934 0.80 MAPK14 (0.58) MAPK14TGFBR1TGFBR2MAPK13MAPK12
SCHEMBL20550895 0.80 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL28397866 0.79 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11CSNK1D

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