SCHEMBL4438464

SCHEMBL4438464

CN(Cc1ccccn1)c1nc(Nc2ccc(S(C)(=O)=O)cc2)c2ncn(-c3ccsc3)c2n1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.34
PTK2 Q05397 3/20 0.34
SRC P12931 2/20 0.34
ABL1 P00519 1/20 0.34
CCNE2 O96020 2/20 0.33
CCNE1 P24864 2/20 0.33
CDK2 P24941 2/20 0.33
JAK3 P52333 1/20 0.33
PTGS2 P35354 1/20 0.33
PIP4K2C Q8TBX8 5/20 0.32
PIP4K2A P48426 3/20 0.32
KDM1A O60341 2/20 0.32
NR2F2 P24468 1/20 0.32
CTNNB1 P35222 1/20 0.31
TCF7L2 Q9NQB0 1/20 0.31
AURKA O14965 1/20 0.31
AURKB Q96GD4 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
SCHEMBL4436776 0.88 JAK2 (0.35) JAK2PTK2SRCABL1CCNE2
SCHEMBL1591527 0.87 JAK2 (0.37) JAK2PTK2SRCABL1CCNE2
SCHEMBL3584532 0.85 JAK2 (0.45) JAK2PTK2CCNE1CDK2PIP4K2C
SCHEMBL1591977 0.74 JAK2 (0.37) JAK2PTK2PTGS2
SCHEMBL6470656 0.73 CCNE2 (0.37) CCNE2CCNE1CDK2PTGS2KDM1A
SCHEMBL12703912 0.73 JAK2 (0.45) JAK2PTK2CCNE1CDK2JAK3
SCHEMBL4438328 0.66 JAK2 (0.33) JAK2PTK2PTGS2
SCHEMBL4444408 0.65 AXL (0.36) JAK2PTK2JAK3PIP4K2C
SCHEMBL3589066 0.65 ABL1 (0.41) ABL1NR2F2
SCHEMBL1590827 0.65 JAK2 (0.37) JAK2PTK2PTGS2

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