SCHEMBL4436776

SCHEMBL4436776

CN(Cc1ccccn1)c1nc(Nc2ccc(S(C)(=O)=O)cc2)c2ncn(-c3cscn3)c2n1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.35
PTK2 Q05397 4/20 0.35
SRC P12931 2/20 0.34
ABL1 P00519 1/20 0.34
JAK3 P52333 2/20 0.33
CCNE2 O96020 2/20 0.33
CCNE1 P24864 2/20 0.33
CDK2 P24941 2/20 0.33
PIP4K2C Q8TBX8 3/20 0.32
PIP4K2A P48426 2/20 0.32
KDM1A O60341 2/20 0.32
CTNNB1 P35222 1/20 0.32
TCF7L2 Q9NQB0 1/20 0.32
AURKA O14965 1/20 0.31
AURKB Q96GD4 1/20 0.31
PTGS2 P35354 1/20 0.31
PDE5A O76074 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
GPR119 Q8TDV5 1/20 0.31

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
SCHEMBL4438464 0.88 JAK2 (0.34) JAK2PTK2SRCABL1JAK3
SCHEMBL12703912 0.85 JAK2 (0.45) JAK2PTK2JAK3CCNE1CDK2
SCHEMBL1591527 0.84 JAK2 (0.37) JAK2PTK2SRCABL1JAK3
SCHEMBL4444408 0.77 AXL (0.36) JAK2PTK2JAK3PIP4K2CPDE5A
SCHEMBL1590827 0.75 JAK2 (0.37) JAK2PTK2PTGS2
SCHEMBL3590041 0.74 CSNK1D (0.41) JAK2PTK2SRCABL1
SCHEMBL3584532 0.73 JAK2 (0.45) JAK2PTK2CCNE1CDK2PIP4K2C
SCHEMBL1590726 0.72 CSNK1D (0.38) SRCABL1JAK3CCNE2CCNE1
SCHEMBL1590587 0.72 CSNK1D (0.51) JAK2PTK2SRCABL1JAK3
SCHEMBL6470656 0.70 CCNE2 (0.37) CCNE2CCNE1CDK2KDM1APTGS2

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 claimed
WO-2008094737-A2 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2008-08-07 WO claimed