SCHEMBL3357802

SCHEMBL3357802

CC(C)S(=O)(=O)c1cncc(-c2cc3c(c(Nc4ccc(C5CCNCC5)cc4)n2)C(=O)[N]C=C3)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 5/20 0.39
ZAP70 P43403 4/20 0.37
SYK P43405 3/20 0.36
INSR P06213 1/20 0.34
KCNH2 Q12809 1/20 0.34
CDK7 P50613 1/20 0.34
CDK9 P50750 1/20 0.34
IKBKB O14920 3/20 0.33
JAK2 O60674 3/20 0.33
ROCK2 O75116 3/20 0.33
JAK1 P23458 3/20 0.33
TYK2 P29597 3/20 0.33
JAK3 P52333 3/20 0.33
ROCK1 Q13464 3/20 0.33
AXL P30530 1/20 0.32
TYRO3 Q06418 1/20 0.32
MERTK Q12866 1/20 0.32
ACVR1 Q04771 1/20 0.32
TNK2 Q07912 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
SCHEMBL3359057 0.91 SYK (0.41) ALKZAP70SYKINSRKCNH2
SCHEMBL3360058 0.83 JAK3 (0.40) ALKZAP70SYKIKBKBJAK2
SCHEMBL3358971 0.81 ZAP70 (0.47) ZAP70JAK2JAK1JAK3
SCHEMBL3358781 0.81 SYK (0.41) ZAP70SYKJAK2JAK3
SCHEMBL3363275 0.80 ZAP70 (0.38) ZAP70SYKJAK3AXLTYRO3
SCHEMBL1045396 0.80 ZAP70 (0.60) ALKZAP70SYKJAK2JAK1
SCHEMBL3362704 0.79 ZAP70 (0.40) ALKZAP70SYKJAK2JAK3
SCHEMBL3362371 0.79 SYK (0.38) ZAP70SYKAXLTYRO3MERTK
SCHEMBL3362286 0.79 ALK (0.36) ALKZAP70SYKIKBKBJAK2
SCHEMBL3359641 0.79 ZAP70 (0.41) ZAP70SYKJAK2JAK3ACVR1

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