SCHEMBL2856662

SCHEMBL2856662

N#Cc1ccc(Cl)c(Nc2nc3ccc(Br)cc3c3c2=CC(=O)[N]C=3)c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.32
NT5E P21589 1/20 0.31
DHODH Q02127 1/20 0.31
MAPT P10636 1/20 0.30
PDGFRB P09619 1/20 0.30
KDR P35968 1/20 0.30
P2RX7 Q99572 1/20 0.30
LRRK2 Q5S007 1/20 0.30
HTT P42858 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
SCHEMBL2868692 0.89 MAPT (0.36) MAPTPDGFRBKDR
SCHEMBL2863262 0.84 NT5E (0.31) SRCNT5EP2RX7
SCHEMBL2870379 0.78 LYN (0.34) P2RX7
SCHEMBL3502468 0.76 JAK2 (0.44)
SCHEMBL2858032 0.74 JAK2 (0.44) NT5EMAPTKDRHTT
SCHEMBL5017095 0.68 CHEK1 (0.41)
SCHEMBL5017699 0.61 CHEK1 (0.41)
SCHEMBL13930511 0.60 JAK2 (0.46) KDR
SCHEMBL2865692 0.60 JAK2 (0.46) MAPT
SCHEMBL24524348 0.60 GAA (0.61) MAPTHTT

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