SCHEMBL3362712

SCHEMBL3362712

Nc1ccc(-c2cc3c(c(Nc4ccc(OC5CCOCC5)cc4)n2)C(=O)[N]C=C3)cn1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 8/20 0.36
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36
DYRK1A Q13627 1/20 0.36
PTK2 Q05397 1/20 0.34
PIK3CA P42336 3/20 0.34
AKT1 P31749 1/20 0.34
MTOR P42345 1/20 0.34
ZAP70 P43403 1/20 0.34
EGFR P00533 3/20 0.33
P2RX3 P56373 1/20 0.33
JAK2 O60674 2/20 0.33
CD63 P08962 1/20 0.33
SYK P43405 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33

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
SCHEMBL3362577 0.88 DYRK1A (0.48) CLK2CLK3DYRK1APIK3CAZAP70
SCHEMBL3360215 0.88 PTK2 (0.39) TBK1PTK2PIK3CAZAP70EGFR
SCHEMBL3357806 0.79 DYRK1A (0.40) CLK2CLK3DYRK1APIK3CAZAP70
SCHEMBL3363124 0.78 ZAP70 (0.46) ZAP70
SCHEMBL1050424 0.77 ZAP70 (0.57) CLK2CLK3DYRK1AZAP70
SCHEMBL3362294 0.76 BCHE (0.45) EGFRJAK2SYK
SCHEMBL3359494 0.75 CSF1R (0.34) PIK3CAMTORZAP70CD63SYK
SCHEMBL3362472 0.74 ZAP70 (0.42) PIK3CAMTORZAP70CD63SYK
SCHEMBL3362594 0.73 ZAP70 (0.55) PIK3CAMTORZAP70JAK2CD63
SCHEMBL3362714 0.72 ABL1 (0.45) PIK3CAMTORZAP70JAK2CD63

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 disclosed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 WO disclosed