SCHEMBL3358248

SCHEMBL3358248

CC(C)(O)c1ccc(-c2cc3c(c(Nc4ccc(N5CCOCC5)cc4)n2)C(=O)[N]C=C3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 1/20 0.44
JAK2 O60674 5/20 0.40
JAK3 P52333 3/20 0.40
HDAC3 O15379 1/20 0.40
NCOR1 O75376 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
BTK Q06187 5/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 1/20 0.39
NR4A1 P22736 1/20 0.39
SYK P43405 6/20 0.38
BRD4 O60885 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL3359445 0.91 ZAP70 (0.46) ZAP70JAK2JAK3JAK1TYK2
SCHEMBL3358764 0.89 SYK (0.42) ZAP70JAK2BTKMAPTTSHR
SCHEMBL3359805 0.83 ZAP70 (0.42) ZAP70JAK2BTKMAPTTSHR
SCHEMBL3362709 0.82 SYK (0.45) ZAP70BTKMAPTSYKBRD4
SCHEMBL3362620 0.82 ZAP70 (0.42) ZAP70JAK2JAK3MAPTSYK
SCHEMBL3362308 0.82 JAK2 (0.46) ZAP70JAK2BTKMAPTTSHR
SCHEMBL3359180 0.81 MAPT (0.50) ZAP70BTKMAPTTSHRNR4A1
SCHEMBL3362714 0.81 ABL1 (0.45) ZAP70JAK2JAK3BTKMAPT
SCHEMBL3361347 0.81 ZAP70 (0.42) ZAP70BTKMAPTTSHRNR4A1
SCHEMBL3361081 0.81 SYK (0.48) ZAP70JAK2JAK3BTKSYK

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