SCHEMBL3362908

SCHEMBL3362908

COCCN1CCC(c2ccc(Nc3nc(-c4cnc(OC)nc4OC)cc4c3C(=O)[N]C=C4)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 2/20 0.37
CHEK1 O14757 1/20 0.34
LRRK2 Q5S007 1/20 0.33
SYK P43405 1/20 0.33
EGFR P00533 3/20 0.33
HRH3 Q9Y5N1 1/20 0.33
JAK3 P52333 5/20 0.32
JAK2 O60674 3/20 0.32
PTK2 Q05397 3/20 0.32
LCK P06239 2/20 0.32
BTK Q06187 1/20 0.32
CARM1 Q86X55 2/20 0.32
BRD4 O60885 1/20 0.32
ATAD2 Q6PL18 1/20 0.32
CSF1R P07333 1/20 0.32
MAPK1 P28482 1/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
TP53 P04637 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
SCHEMBL3358521 0.91 ZAP70 (0.40) ZAP70EGFRJAK3LCKBRD4
SCHEMBL3359219 0.84 ZAP70 (0.41) ZAP70CHEK1LRRK2SYKEGFR
SCHEMBL3362166 0.84 ZAP70 (0.49) ZAP70LRRK2SYKEGFRHRH3
SCHEMBL3359360 0.83 SYK (0.40) SYKEGFRJAK3JAK2PTK2
SCHEMBL3358208 0.82 TLR9 (0.40) ZAP70LRRK2EGFRHRH3JAK3
SCHEMBL3362930 0.81 TLR7 (0.36) ZAP70LRRK2SYKEGFRHRH3
SCHEMBL1047250 0.81 ZAP70 (0.58) ZAP70CHEK1
SCHEMBL3357921 0.80 ZAP70 (0.47) ZAP70EGFRJAK3LCKBRD4
SCHEMBL3358417 0.78 JAK2 (0.41) ZAP70EGFRJAK3JAK2PTK2
SCHEMBL3362102 0.78 SYK (0.39) ZAP70LRRK2SYKEGFRHRH3

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