SCHEMBL14747190

SCHEMBL14747190

Cn1nc(-c2cnc3[nH]cc(C(=O)NCC4(O)CN(C(=O)O)C4C(C)(C)C)c3n2)c2ccc(F)cc21

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SYK P43405 18/20 0.64
CYP2C9 P11712 1/20 0.60
JAK2 O60674 2/20 0.54
JAK1 P23458 2/20 0.54
JAK3 P52333 2/20 0.54
CYP2D6 P10635 1/20 0.48

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
SCHEMBL14738072 0.85 SYK (0.66) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL14751509 0.83 SYK (0.70) SYKCYP2C9JAK2JAK1JAK3
Trifluoroacetic Acid SCHEMBL14737762 0.82 SYK (0.65) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL14746443 0.81 SYK (0.79) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL14738965 0.81 SYK (0.65) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL14755209 0.81 SYK (0.78) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL14755189 0.81 SYK (0.78) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL14738724 0.80 SYK (0.72) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL14746738 0.79 SYK (0.76) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL14738210 0.79 SYK (1.00) SYKCYP2C9JAK2JAK1JAK3

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