SCHEMBL3362028

SCHEMBL3362028

CCS(=O)(=O)N1CCC(c2ccc(Nc3nc(-c4cncc(OC)c4)cc4c3C(=O)[N]C=C4)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 4/20 0.49
SYK P43405 3/20 0.36
BTK Q06187 1/20 0.35
EGFR P00533 2/20 0.34
TLR7 Q9NYK1 2/20 0.34
CYP11B2 P19099 2/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
ACP1 P24666 1/20 0.34
NAMPT P43490 1/20 0.32
CTPS1 P17812 1/20 0.32
AKT1 P31749 1/20 0.32
JAK3 P52333 2/20 0.31
LCK P06239 1/20 0.31
JAK2 O60674 1/20 0.31
PTK2 Q05397 1/20 0.31
ACLY P53396 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
SCHEMBL3362595 0.93 ZAP70 (0.48) ZAP70SYKBTKEGFRCYP11B2
SCHEMBL3359111 0.90 ZAP70 (0.52) ZAP70SYKEGFRTLR7TLR9
SCHEMBL3359635 0.88 ZAP70 (0.53) ZAP70SYKEGFRTLR7TLR9
SCHEMBL3362351 0.88 ZAP70 (0.49) ZAP70SYKBTKEGFRTLR7
SCHEMBL3360188 0.87 ZAP70 (0.48) ZAP70SYKBTKEGFRJAK3
SCHEMBL3358518 0.87 ZAP70 (0.53) ZAP70SYKBTKEGFRCYP11B2
SCHEMBL3358601 0.87 ZAP70 (0.49) ZAP70SYKEGFRTLR7TLR9
SCHEMBL3359391 0.86 ZAP70 (0.44) ZAP70SYKBTKEGFRCYP11B2
SCHEMBL3362403 0.85 ZAP70 (0.68) ZAP70SYKEGFRTLR7TLR9
SCHEMBL3363298 0.84 ZAP70 (0.47) ZAP70SYKEGFRTLR7AKT1

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