SCHEMBL28059008

SCHEMBL28059008

Cc1nc(NC(=O)CC(C)C)sc1-c1ccnc(NC(=O)c2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.54
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPK13 O15264 2/20 0.46
MAPK12 P53778 2/20 0.46
MAPK11 Q15759 2/20 0.46
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
IKBKB O14920 1/20 0.43
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
EGFR P00533 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL28059095 0.91 MAPK14 (0.58) MAPK14ALOX15TSHRCASP1NPSR1
SCHEMBL28059004 0.88 MAPK14 (0.55) MAPK14ALOX15TSHRCASP1NPSR1
SCHEMBL28059005 0.85 MAPT (0.54) MAPK14ALOX15TSHRCASP1NPSR1
SCHEMBL28059091 0.85 MAPK14 (0.53) MAPK14ALOX15TSHRCASP1NPSR1
SCHEMBL28059099 0.76 MAPK14 (0.48) MAPK14NPSR1MAPK13MAPK12MAPK11
SCHEMBL28059094 0.73 KMT2A (0.52) MAPK14NPSR1MEN1ALDH1A1MAPT
SCHEMBL48415 0.71 PIK3CD (0.61) MEN1ALDH1A1KMT2ASMN1; SMN2PIK3CD
SCHEMBL5051520 0.70 GRM4 (0.51) MAPK14MEN1ALDH1A1MAPTHTT
SCHEMBL28059092 0.70 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL4201209 0.69 RAB9A (0.59) MEN1ALDH1A1MAPTHTTKMT2A

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-105585565-A 2-phenylamino-4-thiazolyl pyridine derivatives, preparing method thereof, pharmaceutical compositions of the derivatives and uses of the derivatives INST MATERIA MEDICA CAMS 2016-05-18 CN claimed
CN-105585565-A 2-phenylamino-4-thiazolyl pyridine derivatives, preparing method thereof, pharmaceutical compositions of the derivatives and uses of the derivatives INST MATERIA MEDICA CAMS 2016-05-18 CN disclosed