SCHEMBL6515232

SCHEMBL6515232

O=C1[N]C(c2ccc(F)cc2)=C(c2ccnc(F)c2)N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.41
MAPK13 O15264 3/20 0.41
MAPK12 P53778 3/20 0.41
MAPK11 Q15759 3/20 0.41
IDO1 P14902 1/20 0.37
MAPKAPK2 P49137 1/20 0.36
PARP10 Q53GL7 1/20 0.35
PARP11 Q9NR21 1/20 0.35
MAPT P10636 1/20 0.35
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
MAPK1 P28482 2/20 0.33

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
SCHEMBL2295783 0.83 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11IDO1
SCHEMBL4097997 0.70 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11IDO1
SCHEMBL6508399 0.69 MEN1 (0.38) MAPK14MAPK13MAPK12MAPK11MAPKAPK2
SCHEMBL22068158 0.66 IDO1 (0.55) MAPK14MAPK13MAPK12MAPK11IDO1
SCHEMBL8836231 0.65 TDO2 (0.45) MAPK14MAPK13MAPK12MAPK11IDO1
SCHEMBL2299116 0.64 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL828544 0.64 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11IDO1
SCHEMBL6984697 0.63 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11
SCHEMBL21067592 0.63 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11IDO1
SCHEMBL28480049 0.62 ESR2 (0.48) IDO1MAPTCDK5CDK5R1

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
WO-2005105814-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2005-11-10 WO disclosed