SCHEMBL3455091

SCHEMBL3455091

COCCOc1cccc(Nc2nccc(N)n2)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.61
EGFR P00533 2/20 0.54
GSK3B P49841 3/20 0.54
SCN9A Q15858 6/20 0.51
SCN5A Q14524 5/20 0.51
PIK3CG P48736 4/20 0.50
PIK3CA P42336 3/20 0.50
PIK3CB P42338 3/20 0.50
ROCK1 Q13464 2/20 0.50
ROCK2 O75116 1/20 0.50
PRKACA P17612 1/20 0.50
PRKCD Q05655 1/20 0.50
DYRK1A Q13627 1/20 0.50
CDC42BPA Q5VT25 1/20 0.50
KCNH2 Q12809 3/20 0.48
CDK5 Q00535 1/20 0.47

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
Hydrochloric Acid SCHEMBL12813301 0.84 EGFR (0.71) SYKEGFRGSK3BSCN9ASCN5A
SCHEMBL3458766 0.80 AIMP2 (0.58) EGFRSCN9ASCN5APRKCD
SCHEMBL3459161 0.78 SRC (0.57) SYKEGFR
SCHEMBL3459641 0.77 AIMP2 (0.50) EGFRSCN9ASCN5AROCK1ROCK2
SCHEMBL3454379 0.76 AIMP2 (0.56) SYKEGFRSCN5APIK3CGPIK3CA
SCHEMBL656019 0.76 SYK (1.00) SYKEGFR
SCHEMBL3456182 0.75 NOS3 (0.52) SYKEGFRSCN9ASCN5AKCNH2
SCHEMBL3455914 0.75 CCNA2 (0.47) SYKEGFRSCN9ASCN5AKCNH2
SCHEMBL17150948 0.75 SYK (0.52) SYKEGFRGSK3BROCK1ROCK2
SCHEMBL14024536 0.73 KDR (0.61) SYKEGFRGSK3B

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-2154967-A1 PYRIMIDINE DERIVATIVES Hutchison Medipharma Enterprises Limited (BS) 2010-02-24 EP disclosed
WO-2008128231-A1 PYRIMIDINE DERIVATIVES HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2008-10-23 WO disclosed