SCHEMBL3363125

SCHEMBL3363125

CNc1ncc(-c2cc3c(c(Nc4ccc(C5CCN(C)CC5)cc4)n2)C(=O)[N]C=C3)cn1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 1/20 0.49
MAP4K1 Q92918 16/20 0.43
MAP4K3 Q8IVH8 1/20 0.42
BRD4 O60885 3/20 0.41

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
SCHEMBL3362296 0.92 ZAP70 (0.49) ZAP70MAP4K1MAP4K3BRD4
SCHEMBL3362467 0.91 ZAP70 (0.49) ZAP70MAP4K1MAP4K3BRD4
SCHEMBL3357921 0.90 ZAP70 (0.47) ZAP70MAP4K1MAP4K3BRD4
SCHEMBL3360687 0.90 ZAP70 (0.47) ZAP70MAP4K1MAP4K3BRD4
SCHEMBL3358316 0.89 ZAP70 (0.39) ZAP70MAP4K1MAP4K3BRD4
SCHEMBL3363124 0.89 ZAP70 (0.46) ZAP70MAP4K1MAP4K3BRD4
SCHEMBL3362632 0.87 ZAP70 (0.45) ZAP70MAP4K1MAP4K3BRD4
SCHEMBL3362299 0.86 ZAP70 (0.44) ZAP70MAP4K1BRD4
SCHEMBL3358746 0.84 ZAP70 (0.43) ZAP70MAP4K1MAP4K3BRD4
SCHEMBL3359111 0.83 ZAP70 (0.52) ZAP70MAP4K1MAP4K3BRD4

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