SCHEMBL13536675

SCHEMBL13536675

O=C(NCc1cccnc1)c1ccc(-c2cccc3nc(Nc4ccccc4)nn23)cc1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 5/20 0.72
JAK2 O60674 7/20 0.61
NAMPT P43490 2/20 0.51
ALDH1A1 P00352 3/20 0.50
HTT P42858 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TYK2 P29597 1/20 0.49
KMT2A Q03164 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48

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 0.92 JAK2 (0.71) JAK1JAK2TYK2
SCHEMBL13536577 0.91 JAK1 (0.60) JAK1JAK2NAMPTSMN1; SMN2TYK2
SCHEMBL13536667 0.90 JAK2 (0.64) JAK1JAK2HTTSMN1; SMN2TYK2
SCHEMBL7979476 0.89 JAK2 (0.67) JAK1JAK2POLBTYK2LMNA
SCHEMBL13536528 0.86 JAK2 (0.61) JAK1JAK2TYK2
SCHEMBL13536527 0.86 JAK2 (0.62) JAK1JAK2NAMPTTYK2
SCHEMBL13536507 0.84 JAK2 (0.61) JAK1JAK2NAMPTTYK2
SCHEMBL13536707 0.84 LMNA (0.57) JAK1JAK2NAMPTPOLBTYK2
SCHEMBL13536706 0.84 JAK2 (0.64) JAK1JAK2NAMPTTYK2MAPT
SCHEMBL2236657 0.84 JAK1 (1.00) JAK1JAK2TYK2

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