SCHEMBL4434893

SCHEMBL4434893

Cc1ccc(C(=O)O[PH](c2ccccc2C)(c2ccccc2C)c2ccccc2C)cc1-c1ccc2c(c1)[nH]c1ncncc12

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.36
ABL1 P00519 2/20 0.35
KIF11 P52732 1/20 0.35
GRIK1 P39086 1/20 0.35
GRIA1 P42261 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIA3 P42263 1/20 0.35
GRIA4 P48058 1/20 0.35
DDR2 Q16832 7/20 0.35
PARP1 P09874 2/20 0.35
CSNK2A1 P68400 1/20 0.35
MAPK14 Q16539 6/20 0.35
KIT P10721 2/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
FGFR1 P11362 1/20 0.33
LCK P06239 1/20 0.33
KDR P35968 1/20 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
SCHEMBL4444272 0.81 GRIK1 (0.54) DYRK1AABL1GRIK1GRIA1GRIA2
SCHEMBL4434890 0.79 GRIK1 (0.45) DYRK1AGRIK1GRIA1GRIA2GRIA3
SCHEMBL3307100 0.76 ROCK2 (0.56) DDR2KDR
SCHEMBL3310660 0.76 ROCK2 (0.56) DDR2KDR
SCHEMBL4442828 0.75 TNKS2 (0.43) ABL1PARP1MAPK14KIT
SCHEMBL2304728 0.75 DDR2 (0.50) DDR2MAPK14FGFR1LCKKDR
SCHEMBL2307892 0.73 ABL1 (0.56) ABL1DDR2MAPK14FGFR1LCK
SCHEMBL2355475 0.73 RAB9A (0.46) DYRK1AABL1DDR2CSNK2A1MAPK14
SCHEMBL2304320 0.72 DDR2 (0.53) ABL1DDR2MAPK14KITFGFR1
SCHEMBL29815910 0.72 PARP1 (0.62) DYRK1AKIF11PARP1CSNK2A1

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
EP-2121692-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS Incyte Corporation (US) 2009-11-25 EP disclosed
WO-2008079965-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2008-07-03 WO disclosed