SCHEMBL3361678

SCHEMBL3361678

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 2/20 0.42
SYK P43405 3/20 0.34
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
TNK2 Q07912 1/20 0.30
RET P07949 1/20 0.30
KIF5B P33176 1/20 0.30
KDR P35968 1/20 0.30
CYP11B2 P19099 1/20 0.30

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
SCHEMBL3362965 0.83 ZAP70 (0.55) ZAP70SYK
SCHEMBL3359667 0.81 IMPDH2 (0.40) ZAP70
SCHEMBL1158541 0.80 ZAP70 (0.49) ZAP70SYKTNK2
SCHEMBL3361973 0.79 ZAP70 (0.47) ZAP70SYKMAPTTNK2
SCHEMBL1158133 0.79 ZAP70 (0.48) ZAP70SYK
SCHEMBL3359641 0.78 ZAP70 (0.41) ZAP70SYKTNK2KDR
SCHEMBL3359648 0.77 ZAP70 (0.48) ZAP70SYK
SCHEMBL3359055 0.77 ZAP70 (0.40) ZAP70SYK
SCHEMBL3362887 0.75 ZAP70 (0.46) ZAP70SYKKDR
SCHEMBL3361841 0.75 LRRK2 (0.39) ZAP70SYK

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