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SCHEMBL3358701

SCHEMBL3358701

CCNCC(=O)N1CCC(c2ccc(Nc3nc(-c4cncnc4)cc4c3C(=O)[N]C=C4)cc2C)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ZAP70 P43403 3/20 0.47
▸ TBK1 Q9UHD2 7/20 0.34
▸ SYK P43405 6/20 0.33
▸ JAK2 O60674 3/20 0.33
▸ TLR9 Q9NR96 2/20 0.31
▸ TLR8 Q9NR97 2/20 0.31
▸ TLR7 Q9NYK1 2/20 0.31
▸ EGLN1 Q9GZT9 1/20 0.30

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 0.90 ZAP70 (0.48) ZAP70TBK1SYKJAK2TLR9
SCHEMBL3362917 0.90 ZAP70 (0.45) ZAP70SYKTLR9TLR8TLR7
SCHEMBL3359512 0.89 ZAP70 (0.51) ZAP70TBK1SYK
SCHEMBL3359250 0.86 ZAP70 (0.53) ZAP70TBK1SYKJAK2
SCHEMBL3360152 0.84 ZAP70 (0.64) ZAP70SYK
SCHEMBL3359784 0.84 ZAP70 (0.51) ZAP70SYK
SCHEMBL3358232 0.82 ZAP70 (0.46) ZAP70TBK1SYKJAK2TLR9
SCHEMBL3360670 0.81 ZAP70 (0.48) ZAP70SYKJAK2TLR9TLR8
SCHEMBL3357832 0.81 ZAP70 (0.42) ZAP70SYK
SCHEMBL1049900 0.81 ZAP70 (0.72) ZAP70SYK

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