SCHEMBL3358634

SCHEMBL3358634

O=C1[N]C=Cc2cc(-c3cncnc3)nc(Nc3ccc(C4CCN(C5CC5)CC4)cc3)c21

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 4/20 0.49
JAK3 P52333 14/20 0.37
BTK Q06187 11/20 0.37
LCK P06239 10/20 0.37
EGFR P00533 4/20 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
SCHEMBL1158304 0.93 ZAP70 (0.44) ZAP70JAK3LCK
SCHEMBL3360152 0.88 ZAP70 (0.64) ZAP70
SCHEMBL3360188 0.85 ZAP70 (0.48) ZAP70JAK3BTKLCKEGFR
SCHEMBL1159575 0.85 ZAP70 (0.49) ZAP70BTK
SCHEMBL3362166 0.84 ZAP70 (0.49) ZAP70JAK3BTKLCKEGFR
SCHEMBL3360737 0.84 ZAP70 (0.46) ZAP70JAK3BTKLCKEGFR
SCHEMBL3362358 0.84 ZAP70 (0.45) ZAP70
SCHEMBL3362971 0.83 JAK2 (0.38) ZAP70JAK3BTKLCKEGFR
SCHEMBL3362917 0.82 ZAP70 (0.45) ZAP70JAK3BTKLCKEGFR
SCHEMBL3362296 0.81 ZAP70 (0.49) ZAP70

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