SCHEMBL1933198

SCHEMBL1933198

COc1ccccc1Nc1nc2c(-c3cccc(C(=O)NCc4ccccc4)c3)cccn2n1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.78
JAK3 P52333 9/20 0.78
CNR2 P34972 1/20 0.47
ERN1 O75460 1/20 0.47
UBE2N P61088 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PGK1 P00558 1/20 0.45
TTK P33981 1/20 0.44
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
TP53 P04637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTK2 Q05397 1/20 0.43

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
SCHEMBL2640468 0.88 JAK2 (1.00) JAK2JAK3TTKPTK2
SCHEMBL2185388 0.83 TTK (0.63) JAK2JAK3CNR2ERN1UBE2N
SCHEMBL1933200 0.81 JAK2 (0.62) JAK2JAK3CNR2ERN1UBE2N
SCHEMBL2634469 0.80 JAK2 (1.00) JAK2JAK3PTK2
SCHEMBL13535876 0.79 JAK2 (0.51) JAK2JAK3PTK2
SCHEMBL2640446 0.77 JAK2 (1.00) JAK2JAK3TTKPTK2
SCHEMBL13536052 0.76 JAK2 (0.59) JAK2JAK3PTK2
SCHEMBL2634839 0.76 JAK2 (1.00) JAK2JAK3PTK2
SCHEMBL13536022 0.75 JAK2 (0.58) JAK2JAK3KDM4ENPSR1TP53
SCHEMBL3762695 0.71 JAK2 (1.00) JAK2JAK3PTK2

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-2507235-A1 TRIAZOLOPYRIDINES Bayer Intellectual Property GmbH (DE) 2012-10-10 EP disclosed
WO-2011063908-A1 TRIAZOLOPYRIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-03 WO disclosed