SCHEMBL3362099

SCHEMBL3362099

COCCN1CCC(c2ccc(Nc3nc(-c4cncc(OC)c4)cc4c3C(=O)[N]C=C4)cc2C)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 4/20 0.45
GSK3B P49841 2/20 0.37
SYK P43405 4/20 0.35
ALK Q9UM73 4/20 0.35
INSR P06213 2/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
AKT1 P31749 1/20 0.34
BRAF P15056 1/20 0.33
BRD4 O60885 1/20 0.33
ATAD2 Q6PL18 1/20 0.33
FGFR1 P11362 1/20 0.32
FGFR2 P21802 1/20 0.32
FGFR3 P22607 1/20 0.32
AVPR1B P47901 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
SCHEMBL3362284 0.85 ZAP70 (0.39) ZAP70SYKALKINSRTLR9
SCHEMBL1158376 0.83 SYK (0.36) ZAP70GSK3BSYKALKINSR
SCHEMBL3358232 0.81 ZAP70 (0.46) ZAP70SYKALKINSRTLR9
SCHEMBL3359635 0.81 ZAP70 (0.53) ZAP70GSK3BSYKALKTLR9
SCHEMBL1048447 0.81 ZAP70 (0.68) ZAP70GSK3BSYKTLR9TLR8
SCHEMBL3362403 0.81 ZAP70 (0.68) ZAP70GSK3BSYKTLR9TLR8
SCHEMBL1158541 0.81 ZAP70 (0.49) ZAP70SYKALKINSRBRD4
SCHEMBL3362166 0.81 ZAP70 (0.49) ZAP70SYKALKINSRTLR9
SCHEMBL3360670 0.81 ZAP70 (0.48) ZAP70SYKALKINSRTLR9
SCHEMBL3359111 0.81 ZAP70 (0.52) ZAP70GSK3BSYKTLR9TLR8

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 4 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
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