SCHEMBL3359688

SCHEMBL3359688

COc1cc(Nc2cc3c(c(Nc4ccc(C5CCNCC5)cc4)n2)C(=O)[N]C=C3)ccc1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.40
JAK2 O60674 6/20 0.39
JAK3 P52333 6/20 0.39
PTK2 Q05397 6/20 0.39
EGFR P00533 2/20 0.36
PDE4B Q07343 1/20 0.36
TGFBR1 P36897 1/20 0.35
ACVR1 Q04771 1/20 0.35
ALK Q9UM73 4/20 0.35
ABCB1 P08183 1/20 0.35
ABCC1 P33527 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35

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
SCHEMBL1049152 0.79 ZAP70 (0.49) CHEK1JAK2JAK3PTK2
SCHEMBL3360357 0.78 ALK (0.39) JAK2JAK3PTK2EGFRALK
SCHEMBL3358854 0.77 ALK (0.53) JAK2JAK3PTK2EGFRALK
SCHEMBL3359794 0.77 JAK2 (0.38) JAK2JAK3PTK2ALK
SCHEMBL3359641 0.74 ZAP70 (0.41) JAK2JAK3PTK2TGFBR1ACVR1
SCHEMBL3362356 0.73 BTK (0.38) JAK2JAK3PTK2ALK
SCHEMBL3359667 0.73 IMPDH2 (0.40) ABCB1ABCC1ABCG2
SCHEMBL3362371 0.73 SYK (0.38)
SCHEMBL3359627 0.73 MAP4K1 (0.42) JAK2PTK2EGFRALK
SCHEMBL3360058 0.72 JAK3 (0.40) JAK2JAK3PTK2ALK

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 disclosed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 WO disclosed