SCHEMBL3358985

SCHEMBL3358985

CNc1cccc(-c2cc3c(c(Nc4ccc(N5CCOCC5)cc4)n2)C(=O)[N]C=C3)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 4/20 0.43
ITK Q08881 2/20 0.42
BRAF P15056 1/20 0.40
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
JAK3 P52333 2/20 0.38
FGFR1 P11362 1/20 0.38
SRC P12931 1/20 0.38
IGF1R P08069 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
EGFR P00533 1/20 0.38
BTK Q06187 1/20 0.38
AURKA O14965 2/20 0.38
JAK2 O60674 2/20 0.37
PLK4 O00444 1/20 0.37
PKMYT1 Q99640 1/20 0.37
BRD4 O60885 1/20 0.37

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
SCHEMBL3358328 0.91 ZAP70 (0.42) ZAP70BRAFMAPTTP53MAPK1
SCHEMBL3362463 0.88 ZAP70 (0.49) ZAP70MAPTTP53MAPK1MEN1
SCHEMBL3359805 0.85 ZAP70 (0.42) ZAP70MAPTMAPK1FGFR1SRC
SCHEMBL3362709 0.83 SYK (0.45) ZAP70MAPTTP53MAPK1FGFR1
SCHEMBL3358598 0.82 SYK (0.43) ZAP70ITKMAPTTP53MAPK1
SCHEMBL3358312 0.81 MAPT (0.46) ZAP70ITKMAPTTP53MAPK1
SCHEMBL3359647 0.81 MAPT (0.43) ZAP70BRAFMAPTTP53MAPK1
SCHEMBL3358947 0.80 CYP2C19 (0.40) ZAP70MAPTTP53MAPK1JAK3
SCHEMBL3358758 0.80 SYK (0.44) ZAP70MAPTTP53MAPK1JAK3
SCHEMBL3359445 0.80 ZAP70 (0.46) ZAP70BRAFMAPTJAK3MEN1

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