SCHEMBL376579

SCHEMBL376579

N#Cc1ccc2c(-c3cncc(N[C@@H]4CCCN(C(=O)O)C4)n3)cnn2c1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.46
JAK1 P23458 19/20 0.46
JAK3 P52333 19/20 0.46
EGLN2 Q96KS0 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
SCHEMBL376492 0.88 JAK2 (0.42) JAK2JAK1JAK3EGLN2
SCHEMBL1922865 0.88 JAK2 (0.42) JAK2JAK1JAK3EGLN2
SCHEMBL2343524 0.85 JAK2 (0.58) JAK2JAK1JAK3
SCHEMBL2347429 0.82 JAK2 (0.45) JAK2JAK1JAK3
SCHEMBL376442 0.80 IRAK4 (0.53) JAK1JAK3
SCHEMBL15203451 0.77 JAK2 (0.44) JAK2JAK1JAK3
SCHEMBL2347370 0.77 JAK2 (0.72) JAK2JAK1JAK3
SCHEMBL2347372 0.77 JAK2 (0.72) JAK2JAK1JAK3
SCHEMBL376523 0.75 JAK1 (0.40) JAK2JAK1JAK3
SCHEMBL376522 0.75 JAK1 (0.40) JAK2JAK1JAK3

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-2328890-B1 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER (US) 2012-01-25 EP disclosed