SCHEMBL3261352

SCHEMBL3261352

O=C(O)c1cccc(Nc2nc3ccccn3n2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.68
JAK3 P52333 1/20 0.68
RHOA P61586 1/20 0.62
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HTT P42858 1/20 0.52
SYK P43405 5/20 0.52
JAK1 P23458 1/20 0.51
TYK2 P29597 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
CDC25B P30305 2/20 0.47
AURKA O14965 2/20 0.46
AKR1C3 P42330 2/20 0.46
ABL1 P00519 1/20 0.46
BCR P11274 1/20 0.46
PRKCA P17252 1/20 0.46
AKR1B10 O60218 1/20 0.45
AKR1B1 P15121 1/20 0.45

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
SCHEMBL2640343 0.82 JAK2 (1.00) JAK2JAK3MEN1KMT2AHTT
SCHEMBL30633056 0.77 RHOA (0.93) RHOANPC1RAB9AMEN1KMT2A
SCHEMBL26135613 0.77 RHOA (0.93) RHOANPC1RAB9AMEN1KMT2A
SCHEMBL12970803 0.75 JAK2 (0.65) JAK2JAK3SYK
SCHEMBL20242755 0.73 RHOA (0.59) RHOANPC1RAB9AMEN1KMT2A
SCHEMBL5317913 0.72 JAK2 (0.74) JAK2JAK3NPC1RAB9AMEN1
3-Phenylamino Benzoic Acid SCHEMBL4345076 0.72 RHOA (0.77) RHOARAB9AMEN1KMT2AHTT
SCHEMBL11963751 0.72 RHOA (0.67) RHOANPC1RAB9AMEN1KMT2A
SCHEMBL21925297 0.72 RHOA (0.77) RHOANPC1RAB9AMEN1KMT2A
SCHEMBL28238119 0.72 RHOA (0.82) RHOANPC1RAB9AMEN1KMT2A

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-2010010184-A1 [1, 2, 4] TRIAZOLO [1, 5-A] PYRIDINES AS JAK INHIBITORS GALAPAGOS NV (BE) 2010-01-28 WO disclosed