SCHEMBL3362102

SCHEMBL3362102

COCCN1CCC(c2ccc(Nc3nc(-c4cnc5c(c4)NCCO5)cc4c3C(=O)[N]C=C4)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SYK P43405 8/20 0.39
ZAP70 P43403 3/20 0.39
MAP4K1 Q92918 3/20 0.37
LRRK2 Q5S007 1/20 0.35
MAP3K12 Q12852 1/20 0.33
BRD4 O60885 1/20 0.32
ATAD2 Q6PL18 1/20 0.32
CSF1R P07333 1/20 0.32
EGFR P00533 1/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL3359219 0.85 ZAP70 (0.41) SYKZAP70LRRK2MAP3K12BRD4
SCHEMBL3359221 0.83 ZAP70 (0.58) SYKZAP70MAP4K1
SCHEMBL3362166 0.83 ZAP70 (0.49) SYKZAP70LRRK2BRD4ATAD2
SCHEMBL3362908 0.78 ZAP70 (0.37) SYKZAP70MAP4K1LRRK2BRD4
SCHEMBL3362930 0.77 TLR7 (0.36) SYKZAP70LRRK2BRD4ATAD2
SCHEMBL3358208 0.77 TLR9 (0.40) ZAP70MAP4K1LRRK2BRD4ATAD2
SCHEMBL3363030 0.76 ZAP70 (0.39) SYKZAP70MAP3K12BRD4ATAD2
SCHEMBL3357921 0.75 ZAP70 (0.47) ZAP70MAP4K1BRD4EGFR
SCHEMBL3362632 0.74 ZAP70 (0.45) SYKZAP70MAP4K1BRD4
SCHEMBL3358316 0.74 ZAP70 (0.39) SYKZAP70MAP4K1BRD4EGFR

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 disclosed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 WO disclosed