SCHEMBL3359055

SCHEMBL3359055

COc1cncc(-c2cc3c(c(Nc4ccc(C5CCNC5)cc4)n2)C(=O)[N]C=C3)n1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 3/20 0.40
SYK P43405 1/20 0.35
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
PTK2 Q05397 1/20 0.34

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
SCHEMBL3359641 0.95 ZAP70 (0.41) ZAP70SYKJAK2JAK3PTK2
SCHEMBL3362965 0.86 ZAP70 (0.55) ZAP70SYK
SCHEMBL3359794 0.84 JAK2 (0.38) ZAP70SYKJAK2JAK3PTK2
SCHEMBL3362887 0.83 ZAP70 (0.46) ZAP70SYKJAK2JAK3PTK2
SCHEMBL3359741 0.83 ZAP70 (0.49) ZAP70SYK
SCHEMBL3359028 0.81 ZAP70 (0.41) ZAP70SYKJAK2JAK3PTK2
SCHEMBL3359058 0.81 ZAP70 (0.42) ZAP70SYKJAK2JAK3PTK2
SCHEMBL3357306 0.81 ZAP70 (0.37) ZAP70SYKJAK2JAK3PTK2
SCHEMBL3359243 0.79 ZAP70 (0.38) ZAP70SYKJAK2JAK3PTK2
SCHEMBL1045854 0.79 ZAP70 (0.64) ZAP70SYKJAK2

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