SCHEMBL4882734

SCHEMBL4882734

Cc1c(OCc2ccccc2)cccc1OCc1c[nH]c2ncccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.58
MAPT P10636 2/20 0.56
MAPK1 P28482 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
FGFR1 P11362 1/20 0.51
FGFR4 P22455 1/20 0.51
GPR84 Q9NQS5 2/20 0.50
LTA4H P09960 2/20 0.47
PLA2G2A P14555 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.47
GRM5 P41594 1/20 0.46
HTR2A P28223 2/20 0.45
HTR6 P50406 2/20 0.45
HTR1A P08908 1/20 0.45
HTR7 P34969 1/20 0.45
MAPK14 Q16539 1/20 0.45
DRD4 P21917 2/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 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
SCHEMBL417613 0.90 MET (0.61) METMAPTMAPK1TDP1L3MBTL1
SCHEMBL413547 0.80 MAPT (0.46) METMAPTMAPK1TDP1L3MBTL1
SCHEMBL721730 0.80 MAP2K1 (0.50) METMAPTMAPK1TDP1L3MBTL1
SCHEMBL410440 0.79 MAPT (0.45) METMAPTMAPK1TDP1L3MBTL1
SCHEMBL858715 0.78 MET (0.58) METMAPTMAPK1L3MBTL1FGFR1
SCHEMBL10293120 0.78 GPR84 (0.56) METFGFR1FGFR4GPR84HTR2A
SCHEMBL415278 0.76 FGFR1 (0.64) METMAPTTDP1L3MBTL1FGFR1
SCHEMBL27731389 0.75 MAPT (0.46) METMAPTMAPK1TDP1L3MBTL1
SCHEMBL416501 0.75 MET (0.50) METGPR84LTA4HPLA2G2ATRPM8
SCHEMBL19612191 0.75 MAPT (1.00) MAPTMAPK1TDP1L3MBTL1LTA4H

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
WO-2008080015-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2008-07-03 WO disclosed
WO-2007002325-A1 PYRROLO[2,3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 WO disclosed