SCHEMBL2339766

SCHEMBL2339766

CC1(C(=O)c2c[nH]c3ncc(-c4ccc(OC(=O)N(CCO)CCO)s4)nc23)CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SYK P43405 14/20 0.34
CYP2D6 P10635 2/20 0.34
JAK3 P52333 5/20 0.33
JAK2 O60674 2/20 0.33
JAK1 P23458 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP3A4 P08684 1/20 0.32
PI4KB Q9UBF8 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
SCHEMBL2340508 0.94 SYK (0.34) SYKCYP2D6JAK3JAK2JAK1
SCHEMBL2349042 0.92 SYK (0.35) SYKCYP2D6JAK3JAK2JAK1
SCHEMBL1897088 0.86 SYK (0.34) SYKCYP2D6JAK3JAK2JAK1
SCHEMBL2347323 0.84 JAK3 (0.43) SYKCYP2D6JAK3
SCHEMBL2341581 0.83 SYK (0.38) SYKJAK3JAK2JAK1CYP2C9
SCHEMBL1889949 0.82 SYK (0.35) SYKCYP2D6JAK3JAK2JAK1
SCHEMBL2342919 0.82 JAK3 (0.39) SYKCYP2D6JAK3JAK2JAK1
SCHEMBL1895003 0.79 KDM4E (0.37) SYKCYP2D6JAK3JAK2JAK1
SCHEMBL2345189 0.79 SYK (0.37) SYKCYP2D6JAK3JAK2JAK1
SCHEMBL12449311 0.77 SYK (0.38) SYKCYP2D6JAK3JAK2JAK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247592-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP claimed