SCHEMBL3359221

SCHEMBL3359221

COCCN1CCC(c2ccc(Nc3nc(-c4cnc5c(c4)NCCO5)cc4cc[nH]c(=O)c34)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 17/20 0.58
SYK P43405 2/20 0.40
MAP4K1 Q92918 1/20 0.38

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
SCHEMBL1048396 0.90 ZAP70 (0.58) ZAP70SYK
SCHEMBL1045554 0.85 ZAP70 (0.65) ZAP70SYK
SCHEMBL1048294 0.83 ZAP70 (0.62) ZAP70SYK
SCHEMBL1047735 0.83 ZAP70 (0.79) ZAP70SYK
SCHEMBL3362102 0.83 SYK (0.39) ZAP70SYKMAP4K1
SCHEMBL1046853 0.78 ZAP70 (0.68) ZAP70SYK
SCHEMBL1047250 0.78 ZAP70 (0.58) ZAP70
SCHEMBL1049792 0.77 ZAP70 (0.57) ZAP70
SCHEMBL1049379 0.77 ZAP70 (0.59) ZAP70
SCHEMBL1043245 0.77 ZAP70 (0.66) 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 claimed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 WO claimed