SCHEMBL3358711

SCHEMBL3358711

COc1nccnc1-c1cc2c(c(Nc3ccc(C4CCN(C(C)=O)CC4)c(C)c3)n1)C(=O)[N]C=C2

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.36
ZAP70 P43403 2/20 0.34
BTK Q06187 3/20 0.34
KDR P35968 1/20 0.33
SYK P43405 1/20 0.33
KCNH2 Q12809 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
SOS1 Q07889 1/20 0.33

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
SCHEMBL3362565 0.85 ZAP70 (0.40) PDE10AZAP70BTKSOS1
SCHEMBL3358576 0.84 ZAP70 (0.40) PDE10AZAP70BTKKDRSYK
SCHEMBL3357832 0.84 ZAP70 (0.42) ZAP70BTKKDRSYKKCNH2
SCHEMBL3359512 0.83 ZAP70 (0.51) ZAP70BTKKDRSYKKCNH2
SCHEMBL1048619 0.80 ZAP70 (0.55) PDE10AZAP70KDRSYKKCNH2
SCHEMBL1158133 0.76 ZAP70 (0.48) ZAP70SYKSOS1
SCHEMBL3359721 0.76 SYK (0.43) ZAP70BTKSYK
SCHEMBL3358792 0.76 ZAP70 (0.42) ZAP70SYK
SCHEMBL3360946 0.76 ZAP70 (0.51) ZAP70SYK
SCHEMBL3361613 0.76 ZAP70 (0.43) ZAP70BTKSYK

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