SCHEMBL4444408

SCHEMBL4444408

CN1CCC(N(C)c2nc(Nc3ccc(S(C)(=O)=O)cc3)c3ncn(-c4cscn4)c3n2)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.36
JAK3 P52333 4/20 0.35
LCK P06239 3/20 0.35
EGFR P00533 1/20 0.35
BTK Q06187 1/20 0.35
PDE5A O76074 3/20 0.34
JAK2 O60674 1/20 0.34
PTK2 Q05397 1/20 0.34
PIP4K2C Q8TBX8 2/20 0.34
NMT1 P30419 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
GPR119 Q8TDV5 4/20 0.33
SYK P43405 2/20 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
SCHEMBL1590653 0.87 LMNA (0.40) AXLEGFRBTKJAK2NMT1
SCHEMBL6015418 0.86 FLT3 (0.37) AXLEGFRBTKPDE5ANMT1
SCHEMBL3596341 0.85 CSNK1D (0.40) EGFRBTK
SCHEMBL3597039 0.82 SYK (0.34) AXLJAK3NMT1GPR119SYK
SCHEMBL6015423 0.79 SRC (0.44)
SCHEMBL4436776 0.77 JAK2 (0.35) JAK3PDE5AJAK2PTK2PIP4K2C
SCHEMBL1590726 0.76 CSNK1D (0.38) JAK3LCKEGFRBTKPIP4K2C
SCHEMBL1590587 0.76 CSNK1D (0.51) JAK3EGFRJAK2PTK2SYK
SCHEMBL1590513 0.75 CSNK1D (0.41) JAK3LCKEGFRBTKGPR119
SCHEMBL1590512 0.75 CSNK1D (0.41) JAK3LCKEGFRBTKGPR119

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-2124954-A2 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2009-12-02 EP disclosed
WO-2008094737-A2 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2008-08-07 WO disclosed