SCHEMBL3362358

SCHEMBL3362358

O=C1[N]C=Cc2cc(-c3cncnc3)nc(Nc3ccc(C4CCN(CC(O)CO)CC4)cc3)c21

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 5/20 0.45
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
SYK P43405 4/20 0.34
JAK2 O60674 3/20 0.33
INSR P06213 1/20 0.33
NPM1 P06748 1/20 0.33
ALK Q9UM73 1/20 0.33
NAMPT P43490 1/20 0.32
CDK9 P50750 2/20 0.32
SLC18A3 Q16572 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
SCHEMBL3361495 0.89 ZAP70 (0.39) ZAP70TLR9TLR8TLR7SYK
SCHEMBL3358634 0.84 ZAP70 (0.49) ZAP70
SCHEMBL3362166 0.84 ZAP70 (0.49) ZAP70TLR9TLR8TLR7SYK
SCHEMBL3358232 0.81 ZAP70 (0.46) ZAP70TLR9TLR8TLR7SYK
SCHEMBL3362917 0.80 ZAP70 (0.45) ZAP70TLR9TLR8TLR7SYK
SCHEMBL1159575 0.79 ZAP70 (0.49) ZAP70SYK
SCHEMBL1047651 0.79 ZAP70 (0.72) ZAP70TLR9TLR8TLR7SYK
SCHEMBL3359064 0.79 TAAR1 (0.39) ZAP70TLR9TLR8TLR7JAK2
SCHEMBL1158304 0.79 ZAP70 (0.44) ZAP70SYK
SCHEMBL3360737 0.79 ZAP70 (0.46) 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 claimed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 WO claimed