SCHEMBL30009700

SCHEMBL30009700

CC(C)c1nccnc1-c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.43
MAPK10 P53779 3/20 0.43
MAPK13 O15264 3/20 0.43
MAPK12 P53778 3/20 0.43
MAPK11 Q15759 3/20 0.43
MAPK9 P45984 2/20 0.43
CSNK1D P48730 1/20 0.43
GCGR P47871 5/20 0.40
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
RAF1 P04049 1/20 0.38

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
SCHEMBL12277718 1.00 MAPK14 (0.43) MAPK14MAPK10MAPK13MAPK12MAPK11
SCHEMBL15724386 0.82 SYK (0.37) GCGRHTR2AHTR2CHTR2B
SCHEMBL15723976 0.81 CCNB2 (0.44) MAPK14GCGRKDM5BPDE3BPDE3A
SCHEMBL12277748 0.80 KIF11 (0.46) KDM5B
SCHEMBL12141867 0.80 KDM4E (0.42) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL4148219 0.79 PDE3B (0.47) MAPK14MAPK10MAPK13MAPK12MAPK11
SCHEMBL23329670 0.77 TGFBR1 (0.36) MAPK14MAPK10CSNK1D
SCHEMBL9963326 0.76 GCGR (0.42) MAPK14MAPK10GCGRPTGS2
SCHEMBL4788899 0.75 ADORA1 (0.41) MAPK14MAPK10MAPK13MAPK12MAPK11
SCHEMBL10094476 0.74 MAPK14 (0.43) MAPK14MAPK10MAPK13MAPK12MAPK11

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-115141196-A Light-emitting element and polycyclic compound for light-emitting element 三星显示有限公司 2022-10-04 CN disclosed