SCHEMBL8045672

SCHEMBL8045672

Nc1cc(-c2ccnc(Nc3ccc(-n4cnc(C(F)(F)F)n4)cc3)n2)cc(N2CCCCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 8/20 0.54
MAPK10 P53779 8/20 0.54
MAPK9 P45984 2/20 0.54
JAK2 O60674 7/20 0.49
CAMK2D Q13557 1/20 0.44
STK17A Q9UEE5 3/20 0.42
MYLK4 Q86YV6 2/20 0.42
ACVR1 Q04771 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL8055806 0.87 MAPK8 (0.54) MAPK8MAPK10MAPK9JAK2CAMK2D
SCHEMBL8063344 0.83 MAPK8 (0.63) MAPK8MAPK10MAPK9JAK2CAMK2D
SCHEMBL3756647 0.82 MAPK8 (0.67) MAPK8MAPK10MAPK9JAK2
SCHEMBL3754435 0.82 MAPK8 (0.80) MAPK8MAPK10MAPK9JAK2
SCHEMBL3752338 0.82 MAPK8 (0.67) MAPK8MAPK10MAPK9CAMK2DSTK17A
SCHEMBL8055715 0.80 JAK2 (0.55) MAPK8MAPK10MAPK9JAK2CAMK2D
SCHEMBL3748771 0.80 MAPK8 (0.62) MAPK8MAPK10MAPK9JAK2CAMK2D
SCHEMBL3760571 0.80 MAPK8 (0.65) MAPK8MAPK10MAPK9JAK2CAMK2D
SCHEMBL3748185 0.80 MAPK8 (0.62) MAPK8MAPK10MAPK9JAK2ACVR1
SCHEMBL3752892 0.79 MAPK8 (0.78) MAPK8MAPK10MAPK9JAK2

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