SCHEMBL3260096

SCHEMBL3260096

Nc1nc2c(-c3ccc(Br)cc3)cccn2n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 13/20 0.70
NUDT1 P36639 1/20 0.55
AHR P35869 2/20 0.53
JAK3 P52333 7/20 0.52
JAK1 P23458 1/20 0.52
PTK2 Q05397 3/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
PLK4 O00444 1/20 0.37
AURKA O14965 1/20 0.37
LCK P06239 1/20 0.37
CDK1 P06493 1/20 0.37

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
SCHEMBL3260453 0.86 JAK2 (0.72) JAK2NUDT1JAK3JAK1PTK2
SCHEMBL15796859 0.86 JAK2 (0.72) JAK2NUDT1JAK3JAK1PTK2
SCHEMBL18367046 0.85 JAK2 (0.77) JAK2NUDT1JAK3JAK1PTK2
SCHEMBL2251442 0.84 JAK2 (0.70) JAK2NUDT1JAK3JAK1PTK2
SCHEMBL2254342 0.84 JAK2 (0.72) JAK2NUDT1JAK3JAK1PTK2
SCHEMBL2640477 0.83 JAK2 (1.00) JAK2NUDT1JAK3JAK1PTK2
SCHEMBL2257705 0.82 JAK2 (0.64) JAK2NUDT1AHRJAK3JAK1
SCHEMBL2640435 0.81 AHR (0.53) JAK2NUDT1AHRJAK3JAK1
SCHEMBL3260459 0.81 JAK2 (0.65) JAK2NUDT1JAK3JAK1PTK2
SCHEMBL1691216 0.81 JAK2 (0.68) JAK2NUDT1JAK3JAK1PTK2

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-2010010186-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2010-01-28 WO disclosed