SCHEMBL2863262

SCHEMBL2863262

CC(C)(C#N)c1ccc(Cl)c(Nc2nc3ccc(Br)cc3c3c2=CC(=O)[N]C=3)c1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.31
SRC P12931 1/20 0.30
P2RX7 Q99572 1/20 0.30

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
SCHEMBL2856662 0.84 SRC (0.32) NT5ESRCP2RX7
SCHEMBL2864508 0.78 JAK2 (0.45)
SCHEMBL2868692 0.76 MAPT (0.36)
SCHEMBL2858032 0.71 JAK2 (0.44) NT5E
SCHEMBL13931055 0.67 JAK2 (0.47)
SCHEMBL3502468 0.61 JAK2 (0.44)
SCHEMBL2865692 0.59 JAK2 (0.46)
SCHEMBL604108 0.57 TSHR (0.50)
SCHEMBL13930511 0.57 JAK2 (0.46)
SCHEMBL29758344 0.57 MTOR (0.60)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200612-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-06-30 EP disclosed
WO-2009035575-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2009-03-19 WO disclosed