SCHEMBL3358792

SCHEMBL3358792

COc1cccc(-c2cc3c(c(Nc4ccc(C5CCN(C)CC5)c(C)c4)n2)C(=O)[N]C=C3)n1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 2/20 0.42
WEE1 P30291 1/20 0.38
TGFBR1 P36897 4/20 0.36
EHMT2 Q96KQ7 1/20 0.35
SYK P43405 2/20 0.35
TBK1 Q9UHD2 6/20 0.34
JAK2 O60674 3/20 0.34
TNK2 Q07912 1/20 0.34
EGFR P00533 1/20 0.33
BRD4 O60885 1/20 0.33

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 0.91 ZAP70 (0.39) ZAP70WEE1TGFBR1SYKTBK1
SCHEMBL3362565 0.91 ZAP70 (0.40) ZAP70TGFBR1TBK1JAK2EGFR
SCHEMBL3359250 0.83 ZAP70 (0.53) ZAP70WEE1SYKTBK1JAK2
SCHEMBL3361273 0.82 SYK (0.43) ZAP70WEE1SYKTBK1JAK2
SCHEMBL1158541 0.82 ZAP70 (0.49) ZAP70WEE1TGFBR1SYKTBK1
SCHEMBL3359648 0.81 ZAP70 (0.48) ZAP70WEE1TGFBR1SYKEGFR
SCHEMBL3358208 0.81 TLR9 (0.40) ZAP70TGFBR1JAK2EGFRBRD4
SCHEMBL3362965 0.80 ZAP70 (0.55) ZAP70WEE1EHMT2SYK
SCHEMBL3361998 0.80 ZAP70 (0.42) ZAP70WEE1JAK2EGFRBRD4
SCHEMBL1158133 0.80 ZAP70 (0.48) ZAP70SYKTBK1JAK2

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