SCHEMBL3357306

SCHEMBL3357306

COc1cncc(-c2cc3c(c(Nc4ccc(C5CCN(C(=O)CN(C)C)CC5)cc4)n2)C(=O)[N]C=C3)n1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 4/20 0.37
TLR7 Q9NYK1 3/20 0.36
TLR9 Q9NR96 2/20 0.36
TLR8 Q9NR97 2/20 0.36
CHEK1 O14757 1/20 0.35
JAK3 P52333 5/20 0.34
LCK P06239 4/20 0.34
BTK Q06187 4/20 0.34
EGFR P00533 2/20 0.34
JAK2 O60674 2/20 0.34
PTK2 Q05397 2/20 0.34
SOS1 Q07889 1/20 0.34
RET P07949 1/20 0.34
SYK P43405 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
ALK Q9UM73 1/20 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
SCHEMBL3359243 0.90 ZAP70 (0.38) ZAP70JAK3LCKBTKEGFR
SCHEMBL3362887 0.84 ZAP70 (0.46) ZAP70TLR7JAK3LCKBTK
SCHEMBL3359058 0.83 ZAP70 (0.42) ZAP70TLR9JAK3EGFRJAK2
SCHEMBL3359641 0.83 ZAP70 (0.41) ZAP70JAK3JAK2PTK2SYK
SCHEMBL1158133 0.82 ZAP70 (0.48) ZAP70JAK3JAK2SOS1SYK
SCHEMBL3359028 0.82 ZAP70 (0.41) ZAP70TLR9JAK3LCKBTK
SCHEMBL27826596 0.81 ZAP70 (0.37) ZAP70TLR7TLR9TLR8CHEK1
SCHEMBL1046844 0.81 ZAP70 (0.59) ZAP70TLR7TLR9TLR8JAK2
SCHEMBL3359055 0.81 ZAP70 (0.40) ZAP70JAK3JAK2PTK2SYK
SCHEMBL3359747 0.79 ENPP2 (0.44) ZAP70JAK3BTKEGFRJAK2

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-2238137-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-10-13 EP disclosed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 WO disclosed