SCHEMBL3360946

SCHEMBL3360946

COc1ncc(-c2cc3c(c(Nc4ccc(C5CCN(C6CC6)CC5)c(C)c4)n2)C(=O)[N]C=C3)cn1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 4/20 0.51
WEE1 P30291 2/20 0.33
PIK3CA P42336 5/20 0.33
SYK P43405 3/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OGFRL1 Q5TC84 1/20 0.33
MTOR P42345 2/20 0.31
BRD4 O60885 1/20 0.31
ATAD2 Q6PL18 1/20 0.31
PDE5A O76074 1/20 0.31
SLC2A1 P11166 1/20 0.31
SLC2A3 P11169 1/20 0.31
GSK3B P49841 1/20 0.30
TBK1 Q9UHD2 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
SCHEMBL3360152 0.89 ZAP70 (0.64) ZAP70WEE1SYK
SCHEMBL3360818 0.84 SYK (0.42) ZAP70PIK3CASYKMTOR
SCHEMBL3361273 0.82 SYK (0.43) ZAP70WEE1SYKBRD4TBK1
SCHEMBL3357921 0.81 ZAP70 (0.47) ZAP70PIK3CAMTORBRD4
SCHEMBL3359250 0.81 ZAP70 (0.53) ZAP70WEE1SYKBRD4TBK1
SCHEMBL3357832 0.81 ZAP70 (0.42) ZAP70WEE1SYK
SCHEMBL3359784 0.81 ZAP70 (0.51) ZAP70WEE1SYK
SCHEMBL3363341 0.80 SYK (0.41) ZAP70PIK3CASYKMTOR
SCHEMBL3362713 0.80 ZAP70 (0.56) ZAP70PIK3CASYKMTOR
SCHEMBL1160077 0.80 ZAP70 (0.44) ZAP70WEE1BRD4ATAD2

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