SCHEMBL13536667

SCHEMBL13536667

O=C(NCc1ccncc1)c1ccc(-c2cccc3nc(Nc4ccccc4)nn23)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.64
JAK1 P23458 3/20 0.59
MMP13 P45452 2/20 0.57
ROCK2 O75116 1/20 0.54
RPS6KA5 O75582 1/20 0.54
MAP4K4 O95819 1/20 0.54
PRKCG P05129 1/20 0.54
PRKACA P17612 1/20 0.54
RPS6KB1 P23443 1/20 0.54
MAPK1 P28482 1/20 0.54
AKT1 P31749 1/20 0.54
GSK3A P49840 1/20 0.54
GSK3B P49841 1/20 0.54
PRKX P51817 1/20 0.54
PRKCD Q05655 1/20 0.54
PRKG2 Q13237 1/20 0.54
ROCK1 Q13464 1/20 0.54
DYRK1A Q13627 1/20 0.54
PRKG1 Q13976 1/20 0.54
PKN2 Q16513 1/20 0.54

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
SCHEMBL13536674 0.94 JAK2 (0.71) JAK2JAK1ROCK2RPS6KA5MAP4K4
SCHEMBL13536675 0.90 JAK1 (0.72) JAK2JAK1LMNAHTTSMN1; SMN2
SCHEMBL13536507 0.90 JAK2 (0.61) JAK2JAK1JAK3PTK2MAPK14
SCHEMBL13536527 0.89 JAK2 (0.62) JAK2JAK1JAK3PTK2TYK2
SCHEMBL13536579 0.87 JAK2 (0.60) JAK2JAK1JAK3PTK2TYK2
SCHEMBL13536506 0.87 JAK2 (0.71) JAK2JAK1GSK3BJAK3PTK2
SCHEMBL13536528 0.86 JAK2 (0.61) JAK2JAK1JAK3PTK2TYK2
SCHEMBL13536707 0.85 LMNA (0.57) JAK2JAK1JAK3PTK2LMNA
SCHEMBL7973589 0.85 JAK2 (0.74) JAK2JAK1GSK3BJAK3PTK2
SCHEMBL13536706 0.83 JAK2 (0.64) JAK2JAK1MMP13ROCK2PRKACA

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-2010010189-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2010-01-28 WO disclosed