SCHEMBL14744104

SCHEMBL14744104

Cn1nc(-c2cnc3c(n2)c(C(=O)NCCC2CN(C(=O)OC(C)(C)C)C2)cn3COCC[Si](C)(C)C)c2ccc(Cl)cc21

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SYK P43405 9/20 0.42
JAK2 O60674 6/20 0.41
JAK1 P23458 6/20 0.41
JAK3 P52333 5/20 0.41
TYK2 P29597 1/20 0.39
UTS2R Q9UKP6 1/20 0.34
CYP2C9 P11712 1/20 0.34
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
DGAT1 O75907 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
SCHEMBL14747035 0.89 SYK (0.46) SYKJAK2JAK1JAK3TYK2
SCHEMBL14738200 0.89 SYK (0.46) SYKJAK2JAK1JAK3TYK2
SCHEMBL14738713 0.88 CNR1 (0.41) SYKJAK2JAK1JAK3TYK2
SCHEMBL14738711 0.88 CNR1 (0.41) SYKJAK2JAK1JAK3TYK2
SCHEMBL14738188 0.85 SYK (0.48) SYKJAK2JAK1JAK3TYK2
SCHEMBL14738528 0.85 SYK (0.47) SYKJAK2JAK1JAK3TYK2
SCHEMBL14751219 0.85 SYK (0.48) SYKJAK2JAK1JAK3TYK2
SCHEMBL14738230 0.84 SYK (0.43) SYKJAK2JAK1JAK3TYK2
SCHEMBL14737612 0.84 SYK (0.60) SYKJAK2JAK1JAK3TYK2
SCHEMBL14746992 0.83 JAK2 (0.43) SYKJAK2JAK1JAK3TYK2

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-2763990-A1 PYRROLOPYRAZINE KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-08-13 EP disclosed
WO-2013030138-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 WO disclosed