SCHEMBL13535554

SCHEMBL13535554

Nc1ccc(-c2ccc(-c3cccn4nc(NC(=O)C5CC5)nc34)cc2)cn1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 10/20 0.67
ABL1 P00519 2/20 0.50
JAK2 O60674 5/20 0.46
PI4KB Q9UBF8 2/20 0.43
TYK2 P29597 1/20 0.43
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL13535484 0.85 JAK1 (0.66) JAK1ABL1JAK2TYK2
SCHEMBL13535405 0.84 JAK1 (0.72) JAK1JAK2
SCHEMBL13535479 0.83 JAK1 (0.71) JAK1JAK2
SCHEMBL13535409 0.82 JAK1 (0.70) JAK1ABL1JAK2
SCHEMBL3266576 0.82 JAK1 (0.70) JAK1JAK2
SCHEMBL13535530 0.82 JAK1 (0.82) JAK1JAK2TYK2
SCHEMBL2237872 0.81 JAK1 (0.68) JAK1JAK2
SCHEMBL13535464 0.81 JAK1 (0.68) JAK1JAK2
SCHEMBL13535427 0.81 JAK1 (0.68) JAK1JAK2
SCHEMBL13535389 0.81 JAK1 (0.67) JAK1JAK2

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