SCHEMBL3363030

SCHEMBL3363030

COCCN1CCC(c2ccc(Nc3nc(-c4cncnc4)cc4c3C(=O)[N]C=C4)cn2)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 3/20 0.39
SYK P43405 4/20 0.38
AXL P30530 1/20 0.34
TYRO3 Q06418 1/20 0.34
MERTK Q12866 1/20 0.34
MAP3K12 Q12852 1/20 0.34
PDE10A Q9Y233 7/20 0.34
BRD4 O60885 1/20 0.33
ATAD2 Q6PL18 1/20 0.33
INSR P06213 2/20 0.33
ALK Q9UM73 2/20 0.33
WNT1 P04628 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 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
SCHEMBL3362166 0.91 ZAP70 (0.49) ZAP70SYKBRD4ATAD2INSR
SCHEMBL3362708 0.89 ZAP70 (0.49) ZAP70SYKPDE10A
SCHEMBL3359856 0.87 ZAP70 (0.40) ZAP70SYKAXLTYRO3MERTK
SCHEMBL3359219 0.84 ZAP70 (0.41) ZAP70SYKMAP3K12BRD4ATAD2
SCHEMBL3356474 0.83 ZAP70 (0.37) ZAP70SYKPDE10AINSRALK
SCHEMBL3363341 0.82 SYK (0.41) ZAP70SYK
SCHEMBL3362099 0.80 ZAP70 (0.45) ZAP70SYKBRD4ATAD2INSR
SCHEMBL1050524 0.79 ZAP70 (0.64) ZAP70SYKBRD4ATAD2
SCHEMBL3358232 0.78 ZAP70 (0.46) ZAP70SYKINSRALK
SCHEMBL3360670 0.77 ZAP70 (0.48) ZAP70SYKINSRALK

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