SCHEMBL4409833

SCHEMBL4409833

Cc1nccn1Cc1ccc(Nc2nc(-c3ccc(C(=O)NC(C)(C)C)s3)c3cc[nH]c3n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 1/20 0.37
JAK2 O60674 7/20 0.36
LRRK2 Q5S007 6/20 0.36
PTK2 Q05397 5/20 0.36
AURKA O14965 3/20 0.36
DAPK3 O43293 3/20 0.36
PAK4 O96013 3/20 0.36
RET P07949 3/20 0.36
LTK P29376 3/20 0.36
KDR P35968 3/20 0.36
MAP2K2 P36507 3/20 0.36
MAPK8 P45983 3/20 0.36
MAPK9 P45984 3/20 0.36
CLK2 P49760 3/20 0.36
RPS6KA3 P51812 3/20 0.36
JAK3 P52333 3/20 0.36
CDK5 Q00535 3/20 0.36
MAP2K1 Q02750 3/20 0.36
MST1R Q04912 3/20 0.36
MAP4K2 Q12851 3/20 0.36

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
SCHEMBL4255795 0.90 JAK1 (0.38) TNIKJAK2LRRK2PTK2AURKA
SCHEMBL13883576 0.84 JAK2 (0.40) TNIKJAK2LRRK2PTK2AURKA
SCHEMBL13883514 0.82 LRRK2 (0.35) TNIKJAK2LRRK2PTK2AURKA
SCHEMBL13883718 0.81 AXL (0.38) TNIKJAK2TTKJAK1
SCHEMBL4407227 0.79 JAK1 (0.38) TNIKJAK2LRRK2PTK2AURKA
SCHEMBL13883496 0.79 JAK2 (0.38) TNIKJAK2LRRK2PTK2AURKA
SCHEMBL13883626 0.78 IKBKB (0.41) TNIKJAK2AURKARETKDR
SCHEMBL3971650 0.78 TNIK (0.39) TNIKJAK2LRRK2PTK2AURKA
SCHEMBL3973621 0.78 JAK2 (0.38) TNIKJAK2LRRK2PTK2AURKA
SCHEMBL4081376 0.78 JAK2 (0.40) TNIKJAK2LRRK2PTK2AURKA

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
WO-2009049028-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USE AS JANUS KINASE MODULATORS TARGEGEN INC. (US) 2009-04-16 WO claimed
WO-2009049028-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USE AS JANUS KINASE MODULATORS TARGEGEN INC. (US) 2009-04-16 WO disclosed