SCHEMBL14751120

SCHEMBL14751120

Cn1nc(-c2cnc3c(n2)c(C(=O)NC2CCCN(S(C)(=O)=O)C2)cn3COCC[Si](C)(C)C)c2ccc(Cl)cc21

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SYK P43405 9/20 0.42
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
JAK2 O60674 6/20 0.38
JAK1 P23458 5/20 0.38
JAK3 P52333 5/20 0.38
TYK2 P29597 1/20 0.38
IRAK4 Q9NWZ3 2/20 0.35
CYP2C9 P11712 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
SCHEMBL14751019 1.00 SYK (0.42) SYKCNR1CNR2JAK2JAK1
SCHEMBL14738711 0.88 CNR1 (0.41) SYKCNR1CNR2JAK2JAK1
SCHEMBL14738713 0.88 CNR1 (0.41) SYKCNR1CNR2JAK2JAK1
SCHEMBL14746989 0.87 SYK (0.42) SYKJAK2JAK1JAK3TYK2
SCHEMBL14746993 0.87 SYK (0.45) SYKCNR2JAK2JAK1JAK3
SCHEMBL14746951 0.87 SYK (0.45) SYKCNR2JAK2JAK1JAK3
SCHEMBL14746957 0.87 SYK (0.47) SYKJAK2JAK1JAK3TYK2
SCHEMBL14750178 0.86 SYK (0.45) SYKCNR2JAK2JAK1JAK3
SCHEMBL14746980 0.86 SYK (0.46) SYKJAK2JAK1JAK3TYK2
SCHEMBL14746959 0.86 SYK (0.44) SYKCNR2JAK2JAK1JAK3

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
WO-2013030138-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 WO disclosed