SCHEMBL3362632

SCHEMBL3362632

COc1ccc(-c2cc3c(c(Nc4ccc(C5CCN(C)CC5)cc4)n2)C(=O)[N]C=C3)cn1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 2/20 0.45
MAP4K1 Q92918 13/20 0.42
SYK P43405 1/20 0.41
JAK2 O60674 2/20 0.39
PTK2 Q05397 1/20 0.39
MAP4K3 Q8IVH8 1/20 0.39
MTOR P42345 1/20 0.38
BRD4 O60885 1/20 0.37

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
SCHEMBL3357921 0.91 ZAP70 (0.47) ZAP70MAP4K1MAP4K3MTORBRD4
SCHEMBL3359747 0.91 ENPP2 (0.44) ZAP70SYKJAK2PTK2MTOR
SCHEMBL3360687 0.89 ZAP70 (0.47) ZAP70MAP4K1MAP4K3BRD4
SCHEMBL3363124 0.88 ZAP70 (0.46) ZAP70MAP4K1MAP4K3BRD4
SCHEMBL3362296 0.88 ZAP70 (0.49) ZAP70MAP4K1MAP4K3BRD4
SCHEMBL3363125 0.87 ZAP70 (0.49) ZAP70MAP4K1MAP4K3BRD4
SCHEMBL3362467 0.87 ZAP70 (0.49) ZAP70MAP4K1MAP4K3BRD4
SCHEMBL3359111 0.86 ZAP70 (0.52) ZAP70MAP4K1SYKMAP4K3BRD4
SCHEMBL3362299 0.85 ZAP70 (0.44) ZAP70MAP4K1SYKBRD4
SCHEMBL3359543 0.83 ZAP70 (0.40) 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