SCHEMBL3360902

SCHEMBL3360902

Cc1cccc(-c2cc3c(c(Nc4ccc(C5CCN(S(C)(=O)=O)CC5)cc4)n2)C(=O)[N]C=C3)n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.39
BRD4 O60885 2/20 0.35
BTK Q06187 3/20 0.35
JAK3 P52333 3/20 0.35
EGFR P00533 2/20 0.35
LCK P06239 1/20 0.35
ZAP70 P43403 1/20 0.33
KDR P35968 2/20 0.33
CYP11B1 P15538 3/20 0.33
CYP11B2 P19099 3/20 0.33
TYK2 P29597 1/20 0.33
TGFBR1 P36897 2/20 0.32
JAK2 O60674 1/20 0.32
PTK2 Q05397 1/20 0.32
HSD11B1 P28845 1/20 0.32
HTR1A P08908 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 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
SCHEMBL3361998 0.90 ZAP70 (0.42) BRD4BTKJAK3EGFRZAP70
SCHEMBL3361735 0.87 SYK (0.40) SYKBTKJAK3EGFRLCK
SCHEMBL3359006 0.87 BTK (0.43) SYKBRD4BTKJAK3EGFR
SCHEMBL3362356 0.85 BTK (0.38) SYKBRD4BTKJAK3ZAP70
SCHEMBL3359787 0.85 SLC18A3 (0.36) SYKBRD4BTKZAP70HTR1A
SCHEMBL3362321 0.84 TGFBR1 (0.35) BRD4BTKEGFRZAP70TYK2
SCHEMBL3362622 0.83 SYK (0.37) SYKBTKJAK3EGFRLCK
SCHEMBL3360354 0.83 MAP4K1 (0.41) SYKBRD4BTKJAK3EGFR
SCHEMBL3359270 0.82 SYK (0.41) SYKBTKJAK3EGFRLCK
SCHEMBL3362595 0.80 ZAP70 (0.48) SYKBTKJAK3EGFRLCK

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