SCHEMBL3359243

SCHEMBL3359243

CCNCC(=O)N1CCC(c2ccc(Nc3nc(-c4cncc(OC)n4)cc4c3C(=O)[N]C=C4)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 6/20 0.38
LCK P06239 4/20 0.34
BTK Q06187 5/20 0.34
SYK P43405 2/20 0.33
JAK3 P52333 5/20 0.32
EGFR P00533 3/20 0.32
JAK2 O60674 1/20 0.32
PTK2 Q05397 1/20 0.32
ALK Q9UM73 1/20 0.32
NAMPT P43490 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
PDE5A O76074 1/20 0.32
PDE6A P16499 1/20 0.32
EGLN1 Q9GZT9 1/20 0.31

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
SCHEMBL3357306 0.90 ZAP70 (0.37) ZAP70LCKBTKSYKJAK3
SCHEMBL3362917 0.86 ZAP70 (0.45) ZAP70LCKBTKSYKJAK3
SCHEMBL3362887 0.85 ZAP70 (0.46) ZAP70LCKBTKSYKJAK3
SCHEMBL3359058 0.82 ZAP70 (0.42) ZAP70SYKJAK3EGFRJAK2
SCHEMBL3359641 0.82 ZAP70 (0.41) ZAP70SYKJAK3JAK2PTK2
SCHEMBL27806025 0.82 ZAP70 (0.37) ZAP70LCKBTKSYKJAK3
SCHEMBL1158133 0.81 ZAP70 (0.48) ZAP70SYKJAK3JAK2NAMPT
SCHEMBL1043397 0.81 ZAP70 (0.59) ZAP70
SCHEMBL3359028 0.81 ZAP70 (0.41) ZAP70LCKBTKSYKJAK3
SCHEMBL3359055 0.79 ZAP70 (0.40) ZAP70SYKJAK3JAK2PTK2

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