SCHEMBL3363275

SCHEMBL3363275

CSc1ncc(-c2cc3c(c(Nc4ccc(C5CCNCC5)cc4)n2)C(=O)[N]C=C3)cn1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 2/20 0.38
SYK P43405 6/20 0.37
TNK2 Q07912 2/20 0.37
STK17A Q9UEE5 1/20 0.35
AXL P30530 2/20 0.35
TYRO3 Q06418 2/20 0.35
MERTK Q12866 2/20 0.35
EGFR P00533 2/20 0.34
LCK P06239 2/20 0.34
JAK3 P52333 2/20 0.34
BTK Q06187 2/20 0.33
WEE1 P30291 1/20 0.33
ACVR1 Q04771 1/20 0.33
IGF1R P08069 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
SCHEMBL3360064 0.87 ACVR1 (0.34) SYKTNK2STK17AAXLTYRO3
SCHEMBL3362371 0.87 SYK (0.38) ZAP70SYKTNK2STK17AAXL
SCHEMBL3362432 0.83 TNK2 (0.38) ZAP70SYKTNK2STK17AAXL
SCHEMBL3360058 0.83 JAK3 (0.40) ZAP70SYKJAK3
SCHEMBL3362356 0.82 BTK (0.38) ZAP70SYKTNK2JAK3BTK
SCHEMBL3358388 0.82 MAP3K12 (0.39) ZAP70SYKTNK2AXLTYRO3
SCHEMBL3359057 0.81 SYK (0.41) ZAP70SYK
SCHEMBL3362296 0.80 ZAP70 (0.49) ZAP70
SCHEMBL3357802 0.80 ALK (0.39) ZAP70SYKTNK2AXLTYRO3
SCHEMBL3359641 0.80 ZAP70 (0.41) ZAP70SYKTNK2JAK3ACVR1

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