SCHEMBL3358746

SCHEMBL3358746

CN1CCC(c2ccc(Nc3nc(-c4ccc(N)cn4)cc4c3C(=O)[N]C=C4)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 1/20 0.43
MAP4K1 Q92918 5/20 0.38
BRD4 O60885 3/20 0.38
AXL P30530 2/20 0.38
KIT P10721 1/20 0.38
FLT3 P36888 1/20 0.38
STAT6 P42226 1/20 0.37
LCK P06239 5/20 0.37
EGFR P00533 4/20 0.37
JAK3 P52333 4/20 0.37
MAP4K3 Q8IVH8 1/20 0.37
EML4 Q9HC35 1/20 0.37
ALK Q9UM73 1/20 0.37
WEE1 P30291 1/20 0.36
INSR P06213 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL3362467 0.88 ZAP70 (0.49) ZAP70MAP4K1BRD4KITFLT3
SCHEMBL3362295 0.87 ZAP70 (0.41) ZAP70MAP4K1BRD4AXLKIT
SCHEMBL3363124 0.87 ZAP70 (0.46) ZAP70MAP4K1BRD4MAP4K3
SCHEMBL3359543 0.85 ZAP70 (0.40) ZAP70MAP4K1BRD4AXLKIT
SCHEMBL3362296 0.85 ZAP70 (0.49) ZAP70MAP4K1BRD4MAP4K3
SCHEMBL3358348 0.85 ZAP70 (0.41) ZAP70MAP4K1BRD4KITFLT3
SCHEMBL3363125 0.84 ZAP70 (0.49) ZAP70MAP4K1BRD4MAP4K3
SCHEMBL3360687 0.84 ZAP70 (0.47) ZAP70MAP4K1BRD4MAP4K3
SCHEMBL3361998 0.83 ZAP70 (0.42) ZAP70MAP4K1BRD4KITFLT3
SCHEMBL3357921 0.83 ZAP70 (0.47) ZAP70MAP4K1BRD4LCKEGFR

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