SCHEMBL7009149

SCHEMBL7009149

OCC(O)Cn1cc(I)c2c(Cl)ncnc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK3 O43781 1/20 0.52
ROCK2 O75116 1/20 0.52
PRKD3 O94806 1/20 0.52
MAP4K4 O95819 1/20 0.52
PHKG2 P15735 1/20 0.52
PRKACA P17612 1/20 0.52
RPS6KB1 P23443 1/20 0.52
MARK3 P27448 1/20 0.52
FLT3 P36888 1/20 0.52
CSNK1A1 P48729 1/20 0.52
CSNK1D P48730 1/20 0.52
CLK2 P49760 1/20 0.52
IRAK1 P51617 1/20 0.52
CSNK1G2 P78368 1/20 0.52
MAP4K2 Q12851 1/20 0.52
ROCK1 Q13464 1/20 0.52
CAMK2G Q13555 1/20 0.52
CAMK2D Q13557 1/20 0.52
DYRK1A Q13627 1/20 0.52
MELK Q14680 1/20 0.52

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
SCHEMBL23873275 0.87 DYRK3 (0.52) DYRK3ROCK2PRKD3MAP4K4PHKG2
SCHEMBL16236944 0.81 DYRK3 (0.46) DYRK3ROCK2PRKD3MAP4K4PHKG2
SCHEMBL23966901 0.80 ADK (0.48) DYRK3ROCK2PRKD3MAP4K4PHKG2
SCHEMBL10389156 0.78 ADK (0.41) DYRK3ROCK2PRKD3MAP4K4PHKG2
SCHEMBL29503417 0.76 ADK (0.46) DYRK3ROCK2PRKD3MAP4K4PHKG2
SCHEMBL16236999 0.76 ADK (0.46) DYRK3ROCK2PRKD3MAP4K4PHKG2
SCHEMBL23873165 0.76 DYRK3 (0.41) DYRK3ROCK2PRKD3MAP4K4PHKG2
SCHEMBL13475348 0.76 ADK (0.41) DYRK3ROCK2PRKD3MAP4K4PHKG2
SCHEMBL16236456 0.75 ADK (0.43) DYRK3ROCK2PRKD3MAP4K4PHKG2
SCHEMBL4014438 0.74 ADK (0.43) DYRK3ROCK2PRKD3MAP4K4PHKG2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0970084-B1 PYRROLO 2,3D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS BASF AG (DE) 2003-06-04 EP disclosed
EP-0970084-A1 PYRROLO 2,3D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-01-12 EP disclosed
US-6001839-A Substituted 4-amino-7H-pyrrolo [2,3,-d]-pyrimidines as PTK inhibitors BASF AKTIENGESELLSCHAFT (DE) 1999-12-14 US disclosed
WO-1998041525-A1 PYRROLO[2,3D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1998-09-24 WO disclosed