SCHEMBL3362308

SCHEMBL3362308

O=C1[N]C=Cc2cc(-c3ccc(CO)nc3)nc(Nc3ccc(N4CCOCC4)cc3)c21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.46
ZAP70 P43403 1/20 0.42
SYK P43405 9/20 0.41
BTK Q06187 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
AURKA O14965 5/20 0.39
TNK2 Q07912 1/20 0.39
CD63 P08962 1/20 0.39
ABL1 P00519 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
NR4A1 P22736 1/20 0.38
AURKC Q9UQB9 1/20 0.38

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
SCHEMBL3359805 0.85 ZAP70 (0.42) JAK2ZAP70SYKBTKAURKA
SCHEMBL3362709 0.85 SYK (0.45) ZAP70SYKBTKAURKATNK2
SCHEMBL3358764 0.85 SYK (0.42) JAK2ZAP70SYKBTKAURKA
SCHEMBL3362714 0.84 ABL1 (0.45) JAK2ZAP70SYKBTKPI4KB
SCHEMBL3361347 0.84 ZAP70 (0.42) ZAP70SYKBTKAURKACD63
SCHEMBL3358248 0.82 ZAP70 (0.44) JAK2ZAP70SYKBTKMAPT
SCHEMBL3360211 0.80 JAK2 (0.41) JAK2SYK
SCHEMBL3359180 0.79 MAPT (0.50) ZAP70SYKBTKAURKACD63
SCHEMBL3358758 0.79 SYK (0.44) JAK2ZAP70SYKAURKACD63
SCHEMBL3359445 0.78 ZAP70 (0.46) JAK2ZAP70SYKBTKAURKA

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