SCHEMBL3358208

SCHEMBL3358208

COCCN1CCC(c2ccc(Nc3nc(-c4cccc(OC)n4)cc4c3C(=O)[N]C=C4)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 2/20 0.40
ZAP70 P43403 3/20 0.37
EGFR P00533 3/20 0.37
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
TGFBR1 P36897 2/20 0.34
LRRK2 Q5S007 1/20 0.33
JAK2 O60674 2/20 0.33
JAK3 P52333 2/20 0.33
PTK2 Q05397 2/20 0.33
BACE1 P56817 2/20 0.33
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
AXL P30530 1/20 0.32
BRD4 O60885 1/20 0.32
ATAD2 Q6PL18 1/20 0.32
MAP4K1 Q92918 1/20 0.32
BTK Q06187 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
SCHEMBL3362284 0.90 ZAP70 (0.39) TLR9ZAP70HTR1ADRD2DRD4
SCHEMBL3361810 0.90 TLR9 (0.39) TLR9ZAP70EGFRHTR1ADRD2
SCHEMBL3359794 0.85 JAK2 (0.38) ZAP70JAK2JAK3PTK2BTK
SCHEMBL3362930 0.85 TLR7 (0.36) TLR9ZAP70EGFRHRH3LRRK2
SCHEMBL3362166 0.85 ZAP70 (0.49) TLR9ZAP70EGFRHRH3LRRK2
SCHEMBL3359219 0.84 ZAP70 (0.41) TLR9ZAP70EGFRHRH3LRRK2
SCHEMBL3362908 0.82 ZAP70 (0.37) ZAP70EGFRHTR1ADRD2HRH3
SCHEMBL3359787 0.82 SLC18A3 (0.36) TLR9ZAP70HTR1ADRD2DRD4
SCHEMBL3361210 0.82 SRC (0.42) EGFRTGFBR1JAK2JAK3PTK2
SCHEMBL3359058 0.81 ZAP70 (0.42) TLR9ZAP70EGFRHRH3JAK2

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