SCHEMBL3358946

SCHEMBL3358946

COc1ccc(Nc2nc(-c3cnc(N)nc3)cc3c2C(=O)[N]C=C3)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 10/20 0.46
CD63 P08962 2/20 0.46
PIK3CG P48736 1/20 0.46
BRAF P15056 1/20 0.41
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
PIK3CA P42336 1/20 0.39
MAPT P10636 2/20 0.39
EGFR P00533 1/20 0.37
CLK1 P49759 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
ZAP70 P43403 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 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
SCHEMBL3360065 0.92 PIK3CG (0.41) SYKCD63PIK3CGBRAFPIK3CA
SCHEMBL3360824 0.90 BRAF (0.40) SYKCD63PIK3CGBRAFEGFR
SCHEMBL3359807 0.79 FYN (0.41) SYKCD63BRAFPIK3CAMAPT
SCHEMBL3359890 0.78 ABCG2 (0.36) SYKCD63BRAFMAPK8MAPK9
SCHEMBL3362467 0.77 ZAP70 (0.49) PIK3CAZAP70
SCHEMBL3358704 0.76 PIK3CA (0.44) SYKCD63PIK3CGMAPK9PIK3CA
SCHEMBL3358964 0.75 ZAP70 (0.44) SYKEGFRZAP70
SCHEMBL3362294 0.74 BCHE (0.45) SYKEGFR
SCHEMBL3362714 0.73 ABL1 (0.45) SYKCD63PIK3CGPIK3CAMAPT
SCHEMBL3362688 0.73 SYK (0.32) SYKPIK3CA

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