SCHEMBL3359543

SCHEMBL3359543

COc1nc(-c2cc3c(c(Nc4ccc(C5CCN(C)CC5)cc4)n2)C(=O)[N]C=C3)cnc1N

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 2/20 0.40
AXL P30530 2/20 0.39
INSR P06213 1/20 0.39
KDR P35968 1/20 0.39
MAP4K1 Q92918 6/20 0.37
EGFR P00533 2/20 0.36
LCK P06239 2/20 0.36
JAK3 P52333 2/20 0.36
BRD4 O60885 3/20 0.36
KIT P10721 1/20 0.35
FLT3 P36888 1/20 0.35
STAT6 P42226 1/20 0.35
CSF1R P07333 1/20 0.35
MAP4K3 Q8IVH8 1/20 0.34
EML4 Q9HC35 1/20 0.34
ALK Q9UM73 1/20 0.34
WEE1 P30291 1/20 0.34

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
SCHEMBL3359721 0.91 SYK (0.43) ZAP70AXLEGFRLCKJAK3
SCHEMBL3358746 0.85 ZAP70 (0.43) ZAP70AXLINSRKDRMAP4K1
SCHEMBL3358521 0.84 ZAP70 (0.40) ZAP70AXLINSRKDRMAP4K1
SCHEMBL3357921 0.84 ZAP70 (0.47) ZAP70MAP4K1EGFRLCKJAK3
SCHEMBL3362467 0.84 ZAP70 (0.49) ZAP70MAP4K1BRD4KITFLT3
SCHEMBL3358417 0.83 JAK2 (0.41) ZAP70MAP4K1EGFRJAK3BRD4
SCHEMBL3362632 0.83 ZAP70 (0.45) ZAP70MAP4K1BRD4MAP4K3
SCHEMBL3363124 0.83 ZAP70 (0.46) ZAP70MAP4K1BRD4MAP4K3
SCHEMBL3360279 0.83 ABL1 (0.41) ZAP70KDRJAK3STAT6CSF1R
SCHEMBL3362295 0.81 ZAP70 (0.41) ZAP70AXLINSRKDRMAP4K1

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