SCHEMBL3359794

SCHEMBL3359794

COc1cccc(-c2cc3c(c(Nc4ccc(C5CCNCC5)cc4)n2)C(=O)[N]C=C3)n1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.38
JAK3 P52333 9/20 0.38
PTK2 Q05397 9/20 0.38
TYK2 P29597 1/20 0.35
BTK Q06187 2/20 0.34
WEE1 P30291 1/20 0.34
ALK Q9UM73 1/20 0.34
ZAP70 P43403 1/20 0.34
HTR2C P28335 1/20 0.33
SYK P43405 1/20 0.33
ALOX12 P18054 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
SCHEMBL3359641 0.89 ZAP70 (0.41) JAK2JAK3PTK2ZAP70SYK
SCHEMBL3362356 0.89 BTK (0.38) JAK2JAK3PTK2TYK2BTK
SCHEMBL3358208 0.85 TLR9 (0.40) JAK2JAK3PTK2BTKZAP70
SCHEMBL3359055 0.84 ZAP70 (0.40) JAK2JAK3PTK2ZAP70SYK
SCHEMBL3361810 0.84 TLR9 (0.39) JAK2JAK3PTK2BTKZAP70
SCHEMBL3360064 0.81 ACVR1 (0.34) JAK3TYK2BTKWEE1SYK
SCHEMBL3358388 0.81 MAP3K12 (0.39) JAK3TYK2BTKWEE1ZAP70
SCHEMBL3362432 0.81 TNK2 (0.38) JAK2JAK3PTK2TYK2BTK
SCHEMBL3362965 0.80 ZAP70 (0.55) WEE1ALKZAP70SYK
SCHEMBL3358792 0.79 ZAP70 (0.42) JAK2WEE1ZAP70SYK

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