SCHEMBL3362620

SCHEMBL3362620

COc1ccc(-c2cc3c(c(Nc4ccc(N5CCOCC5)cc4)n2)C(=O)[N]C=C3)cc1S(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 2/20 0.42
JAK2 O60674 4/20 0.42
JAK3 P52333 3/20 0.42
SYK P43405 8/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
AURKB Q96GD4 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ABL1 P00519 1/20 0.38
NTRK1 P04629 1/20 0.38
YES1 P07947 1/20 0.38
KDR P35968 1/20 0.38
PKMYT1 Q99640 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
SCHEMBL3361081 0.86 SYK (0.48) ZAP70JAK2JAK3SYKAURKB
SCHEMBL3362714 0.82 ABL1 (0.45) ZAP70JAK2JAK3SYKMAPT
SCHEMBL3358248 0.82 ZAP70 (0.44) ZAP70JAK2JAK3SYKMAPT
SCHEMBL1047439 0.79 ZAP70 (0.67) ZAP70JAK2JAK3SYK
SCHEMBL3359805 0.79 ZAP70 (0.42) ZAP70JAK2SYKMAPTABL1
SCHEMBL3358947 0.79 CYP2C19 (0.40) ZAP70JAK2JAK3SYKMAPT
SCHEMBL3362709 0.79 SYK (0.45) ZAP70SYKMAPTPKMYT1
SCHEMBL3359445 0.78 ZAP70 (0.46) ZAP70JAK2JAK3SYKMAPT
SCHEMBL3358764 0.78 SYK (0.42) ZAP70JAK2SYKMAPTABL1
SCHEMBL3359607 0.78 KDR (0.41) ZAP70JAK2JAK3SYKMAPT

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