SCHEMBL2301729

SCHEMBL2301729

N#CCC(=O)N1CCCC(Nc2ccnc(-c3cnn4ccncc34)n2)C1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.61
JAK3 P52333 20/20 0.61
JAK1 P23458 19/20 0.61

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
SCHEMBL2233140 1.00 JAK2 (0.61) JAK2JAK3JAK1
SCHEMBL2345611 0.90 JAK2 (0.74) JAK2JAK3JAK1
SCHEMBL2232039 0.90 JAK2 (0.74) JAK2JAK3JAK1
SCHEMBL12346505 0.90 JAK2 (0.51) JAK2JAK3JAK1
SCHEMBL2346942 0.88 JAK2 (0.48) JAK2JAK3JAK1
SCHEMBL2234558 0.88 JAK2 (0.60) JAK2JAK3JAK1
SCHEMBL12346437 0.88 JAK2 (0.60) JAK2JAK3JAK1
SCHEMBL2230954 0.88 JAK2 (0.56) JAK2JAK3JAK1
SCHEMBL2350469 0.86 JAK2 (0.58) JAK2JAK3JAK1
SCHEMBL2350472 0.86 JAK2 (0.58) JAK2JAK3JAK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2536728-A1 PYRAZOLE DERIVATIVES AS JAK INHIBITORS Almirall S.A. (ES) 2012-12-26 EP claimed
WO-2011101161-A1 PYRAZOLE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2011-08-25 WO claimed
EP-2360158-A1 Pyrazole derivatives as jak inhibitors Almirall, S.A. (ES) 2011-08-24 EP claimed
EP-2360158-A1 Pyrazole derivatives as jak inhibitors Almirall, S.A. (ES) 2011-08-24 EP disclosed