SCHEMBL3459641

SCHEMBL3459641

Nc1ccnc(Nc2cccc(OCCCN3CCSCC3)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AIMP2 Q13155 1/20 0.50
SRC P12931 5/20 0.47
PDGFRB P09619 2/20 0.47
EPHX2 P34913 5/20 0.46
EGFR P00533 4/20 0.44
INSR P06213 1/20 0.44
IGF1R P08069 1/20 0.44
MET P08581 1/20 0.44
CDK2 P24941 1/20 0.44
KDR P35968 1/20 0.44
TEK Q02763 1/20 0.44
SCN5A Q14524 2/20 0.43
SCN9A Q15858 2/20 0.43
ITK Q08881 1/20 0.43
PRKCD Q05655 2/20 0.43
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43
PRKCA P17252 1/20 0.43
ROCK2 O75116 1/20 0.43
PRKACA P17612 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
SCHEMBL3458886 0.88 EPHX2 (0.51) AIMP2SRCPDGFRBEPHX2EGFR
SCHEMBL3458766 0.85 AIMP2 (0.58) AIMP2SRCPDGFRBEGFRINSR
SCHEMBL13924567 0.83 SYK (0.62) AIMP2SRCEGFRCDK2PRKCD
SCHEMBL4878754 0.82 AIMP2 (0.54) AIMP2SRCPDGFRBEPHX2EGFR
SCHEMBL3459161 0.82 SRC (0.57) AIMP2SRCEPHX2EGFRITK
SCHEMBL3454379 0.79 AIMP2 (0.56) AIMP2SRCPDGFRBEPHX2EGFR
SCHEMBL14024413 0.78 EGFR (0.50) AIMP2SRCPDGFRBEGFRINSR
SCHEMBL3455091 0.77 SYK (0.61) EGFRSCN5ASCN9APRKCDROCK2
SCHEMBL14024524 0.77 KDR (0.54) AIMP2SRCPDGFRBEPHX2EGFR
SCHEMBL19476605 0.76 IGF1R (0.58) AIMP2SRCPDGFRBEGFRINSR

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