SCHEMBL3360731

SCHEMBL3360731

Cc1csc(-c2cc3c(c(Nc4ccc(OC5CCOCC5)cc4)n2)CNC=C3)n1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 2/20 0.49
GRM5 P41594 4/20 0.38
P2RX3 P56373 3/20 0.33
IRAK4 Q9NWZ3 2/20 0.32
TBK1 Q9UHD2 1/20 0.32
SYK P43405 2/20 0.32
SRC P12931 1/20 0.32
CDK2 P24941 1/20 0.32
LRRK2 Q5S007 1/20 0.31
GRM4 Q14833 1/20 0.30
TGFBR1 P36897 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
SCHEMBL3359643 0.87 GSK3B (0.36) ZAP70GRM5P2RX3IRAK4TBK1
SCHEMBL3360220 0.83 MAPT (0.43) ZAP70SYKCDK2
SCHEMBL1047243 0.76 ZAP70 (0.80) ZAP70GRM5
SCHEMBL3357115 0.67 JAK2 (0.43) ZAP70IRAK4TBK1SYKSRC
SCHEMBL3360206 0.67 ZAP70 (0.42) ZAP70SYK
SCHEMBL3359732 0.66 SYK (0.45) ZAP70SYK
SCHEMBL3359744 0.65 CYP1A2 (0.53) ZAP70SRCLRRK2
SCHEMBL3359868 0.65 JAK2 (0.46) ZAP70IRAK4TBK1SYKSRC
SCHEMBL3395819 0.64 MAPK10 (0.47) ZAP70SYK
SCHEMBL3362734 0.64 ULK1 (0.41) 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