SCHEMBL3362704

SCHEMBL3362704

CCN1CCC(c2ccc(Nc3nc(-c4cncc(S(C)(=O)=O)c4)cc4c3C(=O)[N]C=C4)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 4/20 0.40
SYK P43405 5/20 0.37
PTK2 Q05397 5/20 0.36
JAK2 O60674 4/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
JAK3 P52333 5/20 0.35
ALK Q9UM73 1/20 0.34
EGFR P00533 2/20 0.34
LCK P06239 2/20 0.34
BTK Q06187 1/20 0.34
DRD2 P14416 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL3358971 0.92 ZAP70 (0.47) ZAP70PTK2JAK2BRD4CREBBP
SCHEMBL3359025 0.91 SYK (0.42) ZAP70SYKPTK2JAK2JAK3
SCHEMBL3360029 0.90 PTK2 (0.42) ZAP70SYKPTK2JAK2JAK3
SCHEMBL3360308 0.84 SYK (0.44) ZAP70SYKJAK3ALKEGFR
SCHEMBL3359173 0.83 ALK (0.39) SYKPTK2JAK2BRD4JAK3
SCHEMBL3358710 0.82 JAK2 (0.45) ZAP70SYKPTK2JAK2JAK3
SCHEMBL3359635 0.82 ZAP70 (0.53) ZAP70SYKPTK2JAK2JAK3
SCHEMBL3362028 0.81 ZAP70 (0.49) ZAP70SYKPTK2JAK2JAK3
SCHEMBL3362595 0.80 ZAP70 (0.48) ZAP70SYKPTK2JAK2JAK3
SCHEMBL3362971 0.80 JAK2 (0.38) ZAP70PTK2JAK2CREBBPJAK3

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