SCHEMBL3360670

SCHEMBL3360670

Cc1cc(Nc2nc(-c3cncnc3)cc3c2C(=O)[N]C=C3)ccc1C1CCN(CCS(C)(=O)=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 4/20 0.48
SYK P43405 5/20 0.36
JAK2 O60674 3/20 0.36
PTK2 Q05397 2/20 0.36
JAK3 P52333 1/20 0.36
ALK Q9UM73 4/20 0.35
TLR9 Q9NR96 3/20 0.33
TLR8 Q9NR97 3/20 0.33
TLR7 Q9NYK1 3/20 0.33
WEE1 P30291 1/20 0.33
INSR P06213 2/20 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
SCHEMBL3359250 0.89 ZAP70 (0.53) ZAP70SYKJAK2WEE1
SCHEMBL3360152 0.86 ZAP70 (0.64) ZAP70SYKWEE1
SCHEMBL3359784 0.85 ZAP70 (0.51) ZAP70SYKALKWEE1INSR
SCHEMBL3359512 0.84 ZAP70 (0.51) ZAP70SYK
SCHEMBL3358232 0.83 ZAP70 (0.46) ZAP70SYKJAK2ALKTLR9
SCHEMBL3359436 0.83 ZAP70 (0.48) ZAP70SYKJAK2ALKTLR9
SCHEMBL1159549 0.82 ZAP70 (0.40) ZAP70SYKJAK2WEE1
SCHEMBL3358701 0.81 ZAP70 (0.47) ZAP70SYKJAK2TLR9TLR8
SCHEMBL3362099 0.81 ZAP70 (0.45) ZAP70SYKALKTLR9TLR8
SCHEMBL1047964 0.80 ZAP70 (0.74) ZAP70SYKALK

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