SCHEMBL3358417

SCHEMBL3358417

COc1ncccc1-c1cc2c(c(Nc3ccc(C4CCN(C)CC4)cc3)n1)C(=O)[N]C=C2

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.41
JAK3 P52333 3/20 0.41
PTK2 Q05397 3/20 0.41
HRH4 Q9H3N8 1/20 0.40
ZAP70 P43403 1/20 0.39
CARM1 Q86X55 4/20 0.38
MAP4K1 Q92918 5/20 0.38
KIT P10721 1/20 0.37
FLT3 P36888 1/20 0.37
BTK Q06187 1/20 0.36
BRD4 O60885 1/20 0.36
MAPK7 Q13164 1/20 0.36
EGFR P00533 1/20 0.36
ALK Q9UM73 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
SCHEMBL3359627 0.88 MAP4K1 (0.42) JAK2PTK2ZAP70MAP4K1BTK
SCHEMBL3358521 0.87 ZAP70 (0.40) JAK3ZAP70MAP4K1BRD4EGFR
SCHEMBL3362901 0.84 MAP4K1 (0.44) ZAP70MAP4K1BRD4MAPK7EGFR
SCHEMBL3359543 0.83 ZAP70 (0.40) JAK3ZAP70MAP4K1KITFLT3
SCHEMBL3357921 0.83 ZAP70 (0.47) JAK3ZAP70MAP4K1BRD4EGFR
SCHEMBL3362632 0.82 ZAP70 (0.45) JAK2PTK2ZAP70MAP4K1BRD4
SCHEMBL3361999 0.81 MAP4K1 (0.51) ZAP70MAP4K1BTKBRD4EGFR
SCHEMBL3360687 0.81 ZAP70 (0.47) ZAP70MAP4K1BRD4
SCHEMBL3362296 0.80 ZAP70 (0.49) ZAP70MAP4K1BRD4
SCHEMBL3361998 0.80 ZAP70 (0.42) JAK2JAK3PTK2ZAP70MAP4K1

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