SCHEMBL3359648

SCHEMBL3359648

COc1cncc(-c2cc3c(c(Nc4ccc(C5CCN(CCCF)CC5)c(C)c4)n2)C(=O)[N]C=C3)n1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 4/20 0.48
SYK P43405 5/20 0.34
EGFR P00533 1/20 0.31
TGFBR1 P36897 1/20 0.31
WEE1 P30291 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
SCHEMBL1158541 0.92 ZAP70 (0.49) ZAP70SYKTGFBR1WEE1
SCHEMBL3359058 0.90 ZAP70 (0.42) ZAP70SYKEGFR
SCHEMBL1159549 0.85 ZAP70 (0.40) ZAP70SYKWEE1
SCHEMBL1158133 0.85 ZAP70 (0.48) ZAP70SYK
SCHEMBL3362965 0.85 ZAP70 (0.55) ZAP70SYKWEE1
SCHEMBL3359028 0.83 ZAP70 (0.41) ZAP70SYKEGFR
SCHEMBL3362284 0.83 ZAP70 (0.39) ZAP70SYKTGFBR1WEE1
SCHEMBL1049079 0.81 ZAP70 (0.73) ZAP70SYKEGFR
SCHEMBL3358792 0.81 ZAP70 (0.42) ZAP70SYKEGFRTGFBR1WEE1
SCHEMBL3359856 0.80 ZAP70 (0.40) 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 disclosed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 WO disclosed