SCHEMBL4434890

SCHEMBL4434890

Cc1ccc(C(=O)O)cc1-c1ccc2c(c1)[nH]c1ncncc12.Cc1ccccc1P(c1ccccc1C)c1ccccc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.45
GRIA1 P42261 1/20 0.45
GRIA2 P42262 1/20 0.45
GRIA3 P42263 1/20 0.45
GRIA4 P48058 1/20 0.45
TNKS2 Q9H2K2 1/20 0.40
MAPK14 Q16539 6/20 0.39
KIT P10721 3/20 0.39
LCK P06239 2/20 0.39
KDR P35968 2/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
DYRK1A Q13627 1/20 0.39
CSNK2A2 P19784 4/20 0.38
CSNK2B P67870 2/20 0.38
EGFR P00533 2/20 0.36
CSNK2A1 P68400 3/20 0.36
PARP1 P09874 2/20 0.36
LDHA P00338 1/20 0.36
LDHB P07195 1/20 0.36

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 0.91 GRIK1 (0.54) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL3310660 0.79 ROCK2 (0.56) KDREGFRCSF1R
SCHEMBL3307100 0.79 ROCK2 (0.56) KDREGFRCSF1R
SCHEMBL4434893 0.79 DYRK1A (0.36) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL2304728 0.76 DDR2 (0.50) MAPK14LCKKDR
SCHEMBL19066457 0.76 CSNK2A1 (0.57) DYRK1ACSNK2A2CSNK2BCSNK2A1PARP1
SCHEMBL30052511 0.76 CSNK2A1 (0.57) DYRK1ACSNK2A2CSNK2BCSNK2A1PARP1
SCHEMBL4437752 0.76 LCK (0.52) MAPK14KITLCKKDR
SCHEMBL4442828 0.75 TNKS2 (0.43) TNKS2MAPK14KITEGFRPARP1
SCHEMBL2355475 0.74 RAB9A (0.46) MAPK14DYRK1ACSNK2A2CSNK2BCSNK2A1

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