SCHEMBL18759698

SCHEMBL18759698

CC(=O)N1CCC[C@H](Nc2nc(-c3cnn4ccc(C#N)cc34)ccc2N)C1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 19/20 0.45
JAK2 O60674 18/20 0.45
JAK1 P23458 13/20 0.45
EGLN2 Q96KS0 1/20 0.45

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
SCHEMBL18759701 1.00 JAK3 (0.45) JAK3JAK2JAK1EGLN2
SCHEMBL18759711 0.89 PIM1 (0.41) JAK3JAK2JAK1
SCHEMBL18759713 0.89 PIM1 (0.41) JAK3JAK2JAK1
SCHEMBL12539996 0.88 JAK2 (0.50) JAK3JAK2JAK1EGLN2
SCHEMBL12539993 0.88 JAK2 (0.50) JAK3JAK2JAK1EGLN2
SCHEMBL2348268 0.85 EGLN2 (0.49) JAK3JAK2JAK1EGLN2
SCHEMBL2362885 0.80 IRAK4 (0.46) JAK3JAK2JAK1EGLN2
SCHEMBL2234535 0.80 EGLN2 (0.51) JAK3JAK2JAK1EGLN2
SCHEMBL15167072 0.80 JAK2 (0.51) JAK3JAK2JAK1EGLN2
SCHEMBL12539525 0.79 PIM1 (0.39) JAK3JAK1

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
EP-2493895-B1 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS VECTURA LTD (GB) 2017-04-26 EP disclosed