SCHEMBL1933200

SCHEMBL1933200

COc1ccccc1Nc1nc2cccc(-c3cccc(C(=O)NCc4ccccc4)c3)n2n1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.62
JAK3 P52333 3/20 0.62
CNR2 P34972 1/20 0.48
ERN1 O75460 1/20 0.48
UBE2N P61088 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TP53 P04637 1/20 0.46
PGK1 P00558 1/20 0.46
TTK P33981 2/20 0.46
POLB P06746 1/20 0.45
HSP90AA1 P07900 1/20 0.45
BLM P54132 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
JAK1 P23458 1/20 0.45
CFD P00746 1/20 0.44

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
SCHEMBL2185388 0.84 TTK (0.63) JAK2JAK3CNR2ERN1UBE2N
SCHEMBL1933198 0.81 JAK2 (0.78) JAK2JAK3CNR2ERN1UBE2N
SCHEMBL2640445 0.77 JAK2 (1.00) JAK2JAK3TTK
SCHEMBL7973589 0.77 JAK2 (0.74) JAK2JAK3TP53JAK1
SCHEMBL13536706 0.75 JAK2 (0.64) JAK2JAK3MAPTTP53JAK1
SCHEMBL13536674 0.75 JAK2 (0.71) JAK2JAK3TTKJAK1
SCHEMBL13536506 0.75 JAK2 (0.71) JAK2JAK3TP53JAK1
SCHEMBL2145664 0.75 JAK2 (0.56) JAK2JAK3TTKJAK1
SCHEMBL12507087 0.71 TTK (0.63) JAK2ERN1TTKCFD
SCHEMBL1932419 0.70 TTK (0.67) JAK2JAK3TTK

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