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SCHEMBL3362965

SCHEMBL3362965

COc1cncc(-c2cc3c(c(Nc4ccc(C5CCNCC5)c(C)c4)n2)C(=O)[N]C=C3)n1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ZAP70 P43403 3/20 0.55
▸ WEE1 P30291 2/20 0.35
▸ SYK P43405 3/20 0.34
▸ ALK Q9UM73 10/20 0.33
▸ EHMT2 Q96KQ7 1/20 0.32
▸ EHMT1 Q9H9B1 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ HSP90AB1 P08238 1/20 0.32

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 0.89 ZAP70 (0.41) ZAP70SYK
SCHEMBL1158541 0.86 ZAP70 (0.49) ZAP70WEE1SYKALK
SCHEMBL3359055 0.86 ZAP70 (0.40) ZAP70SYK
SCHEMBL1158133 0.85 ZAP70 (0.48) ZAP70SYK
SCHEMBL3359648 0.85 ZAP70 (0.48) ZAP70WEE1SYK
SCHEMBL3361678 0.83 ZAP70 (0.42) ZAP70SYK
SCHEMBL3358792 0.80 ZAP70 (0.42) ZAP70WEE1SYKEHMT2
SCHEMBL3359794 0.80 JAK2 (0.38) ZAP70WEE1SYKALK
SCHEMBL27826524 0.79 ZAP70 (0.51) ZAP70WEE1SYKALKEHMT2
SCHEMBL1045699 0.79 ZAP70 (0.84) ZAP70WEE1SYK

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