SCHEMBL3356474

SCHEMBL3356474

CN(C)CC(=O)N1CCC(c2ccc(Nc3nc(-c4cncnc4)cc4c3C(=O)[N]C=C4)cn2)CC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 3/20 0.37
TLR9 Q9NR96 4/20 0.34
TLR8 Q9NR97 4/20 0.34
TLR7 Q9NYK1 4/20 0.34
SYK P43405 3/20 0.34
PDE10A Q9Y233 1/20 0.34
WNT3A P56704 1/20 0.34
PIK3CA P42336 4/20 0.33
MTOR P42345 3/20 0.33
STK17A Q9UEE5 1/20 0.33
CSF1R P07333 1/20 0.33
CDK4 P11802 1/20 0.33
CDK6 Q00534 1/20 0.33
ALK Q9UM73 2/20 0.33
INSR P06213 1/20 0.32
KCNH2 Q12809 1/20 0.32
KDR P35968 1/20 0.32
PIK3CB P42338 1/20 0.32

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
SCHEMBL3359436 0.88 ZAP70 (0.48) ZAP70TLR9TLR8TLR7SYK
SCHEMBL3362708 0.87 ZAP70 (0.49) ZAP70SYKPDE10AWNT3ACSF1R
SCHEMBL3363030 0.83 ZAP70 (0.39) ZAP70SYKPDE10AALKINSR
SCHEMBL3362917 0.81 ZAP70 (0.45) ZAP70TLR9TLR8TLR7SYK
SCHEMBL27826506 0.80 ZAP70 (0.35) ZAP70TLR9TLR8TLR7SYK
SCHEMBL1048656 0.80 ZAP70 (0.61) ZAP70TLR9TLR8TLR7
SCHEMBL3358701 0.78 ZAP70 (0.47) ZAP70TLR9TLR8TLR7SYK
SCHEMBL3359512 0.78 ZAP70 (0.51) ZAP70SYKKCNH2KDR
SCHEMBL3357306 0.77 ZAP70 (0.37) ZAP70TLR9TLR8TLR7SYK
SCHEMBL3363341 0.77 SYK (0.41) ZAP70SYKWNT3APIK3CAMTOR

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 4 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 claimed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 WO claimed
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