SCHEMBL3360194

SCHEMBL3360194

Nc1ncc(-c2cc3c(c(Nc4cccc(OCCN5CCOCC5)c4)n2)C(=O)[N]C=C3)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.46
EGFR P00533 4/20 0.46
BTK Q06187 1/20 0.46
SYK P43405 2/20 0.45
AIMP2 Q13155 1/20 0.43
ADORA2A P29274 2/20 0.42
ADORA1 P30542 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA2B P29275 1/20 0.42
MAPK14 Q16539 2/20 0.42
ITK Q08881 2/20 0.42
BCHE P06276 1/20 0.41
MAOA P21397 1/20 0.41
ACHE P22303 1/20 0.41
MAOB P27338 1/20 0.41
PRKCQ Q04759 2/20 0.40
EPHX2 P34913 2/20 0.40
MAPK9 P45984 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
PIK3CA P42336 1/20 0.39

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
SCHEMBL3362294 0.92 BCHE (0.45) SRCEGFRBTKSYKADORA2A
SCHEMBL3359769 0.89 SYK (0.43) SRCEGFRBTKSYKAIMP2
SCHEMBL12929344 0.82 SYK (0.49) SRCEGFRBTKSYKAIMP2
SCHEMBL3362892 0.81 EGFR (0.46) SRCEGFRBTKSYKITK
SCHEMBL3362036 0.81 MAP3K11 (0.37) SRCEGFRSYK
SCHEMBL3359690 0.81 PIK3CA (0.46) EGFRSYKPIK3CA
SCHEMBL1049539 0.79 ZAP70 (0.59) SRCEGFRBTKSYKAIMP2
SCHEMBL1045575 0.79 ZAP70 (0.52) SRCEGFRBTKSYKAIMP2
SCHEMBL3359957 0.79 SYK (0.43) SRCEGFRSYKADORA2AADORA1
SCHEMBL3361210 0.78 SRC (0.42) SRCEGFRSYK

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