SCHEMBL3358232

SCHEMBL3358232

COCC(O)CN1CCC(c2ccc(Nc3nc(-c4cncnc4)cc4c3C(=O)[N]C=C4)cc2C)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 4/20 0.46
SYK P43405 4/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
TBK1 Q9UHD2 2/20 0.31
JAK2 O60674 1/20 0.31
ACVR1 Q04771 2/20 0.31
ALK Q9UM73 2/20 0.31
INSR P06213 1/20 0.31
P2RX3 P56373 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
NTSR1 P30989 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL3359512 0.85 ZAP70 (0.51) ZAP70SYKTBK1
SCHEMBL3359250 0.85 ZAP70 (0.53) ZAP70SYKTBK1JAK2
SCHEMBL3359784 0.84 ZAP70 (0.51) ZAP70SYKALKINSR
SCHEMBL3360152 0.83 ZAP70 (0.64) ZAP70SYK
SCHEMBL3360670 0.83 ZAP70 (0.48) ZAP70SYKTLR9TLR8TLR7
SCHEMBL3359436 0.83 ZAP70 (0.48) ZAP70SYKTLR9TLR8TLR7
SCHEMBL3358701 0.82 ZAP70 (0.47) ZAP70SYKTLR9TLR8TLR7
SCHEMBL1045988 0.81 ZAP70 (0.70) ZAP70SYKTLR9TLR8TLR7
SCHEMBL3362099 0.81 ZAP70 (0.45) ZAP70SYKTLR9TLR8TLR7
SCHEMBL3362358 0.81 ZAP70 (0.45) ZAP70SYKTLR9TLR8TLR7

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