SCHEMBL3358971

SCHEMBL3358971

CN1CCC(c2ccc(Nc3nc(-c4cncc(S(C)(=O)=O)c4)cc4c3C(=O)[N]C=C4)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 3/20 0.47
JAK2 O60674 6/20 0.41
JAK3 P52333 6/20 0.41
PTK2 Q05397 6/20 0.41
BRD4 O60885 4/20 0.39
CREBBP Q92793 1/20 0.39
MAP4K1 Q92918 7/20 0.35
MAP4K3 Q8IVH8 1/20 0.34
CYP3A4 P08684 1/20 0.34
JAK1 P23458 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
SCHEMBL3362704 0.92 ZAP70 (0.40) ZAP70JAK2JAK3PTK2BRD4
SCHEMBL3359111 0.86 ZAP70 (0.52) ZAP70JAK3BRD4MAP4K1MAP4K3
SCHEMBL3359671 0.84 ZAP70 (0.46) ZAP70BRD4MAP4K1MAP4K3
SCHEMBL3362296 0.83 ZAP70 (0.49) ZAP70BRD4MAP4K1MAP4K3
SCHEMBL3360687 0.83 ZAP70 (0.47) ZAP70BRD4MAP4K1MAP4K3
SCHEMBL3363125 0.83 ZAP70 (0.49) ZAP70BRD4MAP4K1MAP4K3
SCHEMBL3362467 0.83 ZAP70 (0.49) ZAP70BRD4MAP4K1MAP4K3
SCHEMBL3362595 0.82 ZAP70 (0.48) ZAP70JAK2JAK3PTK2
SCHEMBL3363124 0.82 ZAP70 (0.46) ZAP70BRD4MAP4K1MAP4K3
SCHEMBL3358601 0.82 ZAP70 (0.49) ZAP70JAK3MAP4K1

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