SCHEMBL3359445

SCHEMBL3359445

CC(C)(O)c1cccc(-c2cc3c(c(Nc4ccc(N5CCOCC5)cc4)n2)C(=O)[N]C=C3)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 2/20 0.46
SYK P43405 2/20 0.43
BRD4 O60885 2/20 0.42
BRAF P15056 1/20 0.41
BTK Q06187 4/20 0.41
JAK2 O60674 5/20 0.41
CREBBP Q92793 1/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
AURKA O14965 2/20 0.39
JAK3 P52333 2/20 0.39
TYK2 P29597 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP1B1 Q16678 1/20 0.39
AURKB Q96GD4 1/20 0.39
JAK1 P23458 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
SCHEMBL3358248 0.91 ZAP70 (0.44) ZAP70SYKBRD4BTKJAK2
SCHEMBL3358764 0.85 SYK (0.42) ZAP70SYKBRD4BTKJAK2
SCHEMBL3359180 0.81 MAPT (0.50) ZAP70SYKBRAFBTKMAPT
SCHEMBL3362709 0.80 SYK (0.45) ZAP70SYKBRD4BTKMAPT
SCHEMBL3362463 0.80 ZAP70 (0.49) ZAP70SYKBTKJAK2MEN1
SCHEMBL3358985 0.80 ZAP70 (0.43) ZAP70BRD4BRAFBTKJAK2
SCHEMBL3362714 0.79 ABL1 (0.45) ZAP70SYKBTKJAK2MAPT
SCHEMBL3361347 0.79 ZAP70 (0.42) ZAP70SYKBTKMAPTAURKA
SCHEMBL3359805 0.79 ZAP70 (0.42) ZAP70SYKBTKJAK2MAPT
SCHEMBL3362620 0.78 ZAP70 (0.42) ZAP70SYKJAK2MEN1MAPT

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