SCHEMBL3362971

SCHEMBL3362971

CS(=O)(=O)c1cccc(-c2cc3c(c(Nc4ccc(C5CCN(C6CC6)CC5)cc4)n2)C(=O)[N]C=C3)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.38
PTK2 Q05397 5/20 0.38
ZAP70 P43403 3/20 0.37
JAK3 P52333 8/20 0.37
BTK Q06187 7/20 0.34
LCK P06239 2/20 0.34
EGFR P00533 1/20 0.34
PDE4A P27815 1/20 0.33
CREBBP Q92793 1/20 0.33
DRD2 P14416 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL3360647 0.90 ZAP70 (0.43) JAK2PTK2ZAP70JAK3BTK
SCHEMBL3360029 0.90 PTK2 (0.42) JAK2PTK2ZAP70JAK3DRD2
SCHEMBL3358634 0.83 ZAP70 (0.49) ZAP70JAK3BTKLCKEGFR
SCHEMBL3361735 0.82 SYK (0.40) JAK2PTK2ZAP70JAK3BTK
SCHEMBL3358971 0.82 ZAP70 (0.47) JAK2PTK2ZAP70JAK3CREBBP
SCHEMBL3359025 0.81 SYK (0.42) JAK2PTK2ZAP70JAK3DRD2
SCHEMBL3362704 0.80 ZAP70 (0.40) JAK2PTK2ZAP70JAK3BTK
SCHEMBL1046804 0.79 ZAP70 (0.60) JAK2PTK2ZAP70JAK3
SCHEMBL3358710 0.79 JAK2 (0.45) JAK2PTK2ZAP70JAK3DRD2
SCHEMBL27806406 0.79 JAK2 (0.37) JAK2PTK2ZAP70JAK3BTK

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