SCHEMBL8058684

SCHEMBL8058684

CN(C)c1cc(N)cc(-c2ccnc(Nc3ccc(-n4cnc(N5CCOCC5)n4)cc3)n2)c1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 14/20 0.67
MAPK8 P45983 9/20 0.67
MAPK9 P45984 3/20 0.67
JAK2 O60674 6/20 0.57
JUN P05412 3/20 0.50

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
SCHEMBL3765330 0.90 MAPK10 (0.80) MAPK10MAPK8MAPK9JAK2JUN
SCHEMBL3748403 0.89 MAPK10 (0.71) MAPK10MAPK8MAPK9JAK2JUN
SCHEMBL3760337 0.81 MAPK10 (0.74) MAPK10MAPK8MAPK9JAK2
SCHEMBL3758473 0.80 MAPK10 (1.00) MAPK10MAPK8MAPK9JAK2JUN
SCHEMBL3756221 0.80 MAPK10 (0.82) MAPK10MAPK8MAPK9JAK2JUN
SCHEMBL3751062 0.80 MAPK10 (0.61) MAPK10MAPK8MAPK9JAK2
SCHEMBL8063344 0.79 MAPK8 (0.63) MAPK10MAPK8MAPK9JAK2
SCHEMBL3756330 0.79 MAPK10 (0.63) MAPK10MAPK8MAPK9JAK2
SCHEMBL3758673 0.79 MAPK10 (0.84) MAPK10MAPK8MAPK9JAK2
SCHEMBL3760321 0.78 MAPK10 (0.62) MAPK10MAPK8MAPK9JAK2JUN

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
WO-2009032861-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-03-12 WO disclosed