SCHEMBL3361210

SCHEMBL3361210

COc1cccc(-c2cc3c(c(Nc4ccc(OCCN5CCOCC5)cc4)n2)C(=O)[N]C=C3)n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRC P12931 4/20 0.42
SYK P43405 4/20 0.42
EGFR P00533 4/20 0.41
AXL P30530 1/20 0.41
BACE1 P56817 1/20 0.41
TGFBR1 P36897 2/20 0.40
JAK2 O60674 2/20 0.40
ILK Q13418 1/20 0.40
RAF1 P04049 1/20 0.39
MAP2K1 Q02750 1/20 0.39
KDR P35968 3/20 0.39
EPHA2 P29317 1/20 0.39
EPHB4 P54760 1/20 0.39
JAK3 P52333 1/20 0.39
PTK2 Q05397 1/20 0.39

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
SCHEMBL3359502 0.90 ZAP70 (0.43) SRCSYKEGFRJAK2ILK
SCHEMBL3359957 0.84 SYK (0.43) SRCSYKEGFRJAK2KDR
SCHEMBL3359360 0.83 SYK (0.40) SRCSYKEGFRJAK2RAF1
SCHEMBL3362294 0.82 BCHE (0.45) SRCSYKEGFRJAK2KDR
SCHEMBL3358208 0.82 TLR9 (0.40) EGFRAXLBACE1TGFBR1JAK2
SCHEMBL3359372 0.80 TGFBR1 (0.40) SYKEGFRTGFBR1JAK2JAK3
SCHEMBL1045675 0.79 ZAP70 (0.55) SRCSYKEGFRAXLBACE1
SCHEMBL3359920 0.79 IGF1R (0.39) SYKEGFRKDR
SCHEMBL3362284 0.79 ZAP70 (0.39) SYKTGFBR1JAK2KDREPHA2
SCHEMBL3360194 0.78 SRC (0.46) SRCSYKEGFR

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