SCHEMBL3361735

SCHEMBL3361735

CS(=O)(=O)N1CCC(c2ccc(Nc3nc(-c4ccccc4)cc4c3C(=O)[N]C=C4)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.40
HSD11B1 P28845 2/20 0.39
ACP1 P24666 2/20 0.39
KDR P35968 1/20 0.39
ZAP70 P43403 1/20 0.38
MMP3 P08254 1/20 0.36
JAK3 P52333 3/20 0.36
BTK Q06187 2/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
EGFR P00533 1/20 0.36
LCK P06239 1/20 0.36
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
JAK2 O60674 2/20 0.35
PTK2 Q05397 1/20 0.35
PRMT5 O14744 1/20 0.35
NPY5R Q15761 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
SCHEMBL3359270 0.88 SYK (0.41) SYKKDRZAP70JAK3BTK
SCHEMBL3360902 0.87 SYK (0.39) SYKHSD11B1KDRZAP70JAK3
SCHEMBL3362622 0.87 SYK (0.37) SYKACP1JAK3BTKEGFR
SCHEMBL3362595 0.86 ZAP70 (0.48) SYKACP1KDRZAP70JAK3
SCHEMBL3360737 0.85 ZAP70 (0.46) SYKZAP70JAK3BTKCYP11B1
SCHEMBL3360354 0.84 MAP4K1 (0.41) SYKKDRZAP70JAK3BTK
SCHEMBL3362971 0.82 JAK2 (0.38) ZAP70JAK3BTKEGFRLCK
SCHEMBL3359025 0.82 SYK (0.42) SYKZAP70JAK3JAK2PTK2
SCHEMBL3360029 0.81 PTK2 (0.42) SYKZAP70JAK3JAK2PTK2
SCHEMBL3360647 0.81 ZAP70 (0.43) SYKZAP70JAK3BTKEGFR

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 disclosed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 WO disclosed