SCHEMBL3433900

SCHEMBL3433900

O=c1[nH]ccc2cc(-c3ccccc3)nc(Nc3cccc(S(=O)(=O)C(F)(F)F)c3)c12

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 12/20 0.53
JAK2 O60674 1/20 0.39
KCNA5 P22460 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
FER P16591 1/20 0.38
LRRK2 Q5S007 1/20 0.38
BRAF P15056 1/20 0.38
TNNI3K Q59H18 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.36

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
SCHEMBL1045593 0.84 ZAP70 (0.63) ZAP70LRRK2ABCG2
SCHEMBL1043547 0.81 ZAP70 (0.54) ZAP70JAK2
SCHEMBL1048594 0.80 ZAP70 (0.59) ZAP70JAK2FERABCG2
SCHEMBL12960742 0.80 ZAP70 (0.56) ZAP70JAK2FERLRRK2
SCHEMBL1050028 0.79 ZAP70 (0.66) ZAP70JAK2FERLRRK2BRAF
SCHEMBL1045472 0.77 ZAP70 (0.61) ZAP70JAK2
SCHEMBL12928852 0.75 ZAP70 (0.60) ZAP70JAK2LRRK2BRAFABCG2
SCHEMBL1045909 0.75 ZAP70 (0.58) ZAP70BRAFTNNI3K
SCHEMBL1045352 0.74 ZAP70 (0.59) ZAP70LRRK2ABCG2
SCHEMBL1063443 0.74 ZAP70 (0.51) ZAP70BRAFTNNI3K

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