SCHEMBL3359667

SCHEMBL3359667

COc1cncc(-c2cc3c(c(Nc4ccc(-c5ccccc5)c(OC)c4)n2)C(=O)[N]C=C3)n1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 14/20 0.40
BRAF P15056 1/20 0.39
ZAP70 P43403 2/20 0.37
ABCG2 Q9UNQ0 3/20 0.35
ABCB1 P08183 2/20 0.35
ABCC1 P33527 1/20 0.34

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
SCHEMBL3361678 0.81 ZAP70 (0.42) ZAP70
SCHEMBL3359641 0.77 ZAP70 (0.41) ZAP70
SCHEMBL1048713 0.77 ZAP70 (0.61) IMPDH2BRAFZAP70
SCHEMBL3362965 0.77 ZAP70 (0.55) ZAP70
SCHEMBL3359055 0.76 ZAP70 (0.40) ZAP70
SCHEMBL3361841 0.74 LRRK2 (0.39) ZAP70
SCHEMBL3362887 0.74 ZAP70 (0.46) ZAP70
SCHEMBL1158541 0.74 ZAP70 (0.49) ZAP70
SCHEMBL3359688 0.73 CHEK1 (0.40) ABCG2ABCB1ABCC1
SCHEMBL1158133 0.73 ZAP70 (0.48) ZAP70

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