SCHEMBL16404656

SCHEMBL16404656

Cc1nnc(-c2ccc(Nc3nccc(-c4cccc(N5CCCCCC5)c4)n3)cc2)o1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 3/20 0.61
JAK2 O60674 9/20 0.57
MAPK8 P45983 4/20 0.56
MAPK10 P53779 4/20 0.56
MAPK9 P45984 1/20 0.52
ABL1 P00519 1/20 0.50
BCR P11274 1/20 0.50
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
STK17A Q9UEE5 2/20 0.49
PSEN1 P49768 1/20 0.49
PSEN2 P49810 1/20 0.49
APH1B Q8WW43 1/20 0.49
NCSTN Q92542 1/20 0.49
APH1A Q96BI3 1/20 0.49
PSENEN Q9NZ42 1/20 0.49
MYLK4 Q86YV6 1/20 0.49
JAK1 P23458 1/20 0.48
JAK3 P52333 1/20 0.48

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
SCHEMBL3758337 0.92 MAPK8 (0.67) CAMK2DJAK2MAPK8MAPK10MAPK9
SCHEMBL4375206 0.82 JAK2 (0.68) CAMK2DJAK2MAPK8MAPK10MAPK9
SCHEMBL16404665 0.80 CAMK2D (0.59) CAMK2DJAK2MAPK8MAPK10MAPK9
SCHEMBL3750806 0.76 MAPK8 (0.82) CAMK2DJAK2MAPK8MAPK10MAPK9
SCHEMBL3751647 0.76 MAPK8 (0.67) CAMK2DJAK2MAPK8MAPK10MAPK9
SCHEMBL16404663 0.75 CAMK2D (0.59) CAMK2DJAK2MAPK8MAPK10MAPK9
SCHEMBL3751044 0.75 MAPK8 (0.68) CAMK2DJAK2MAPK8MAPK10MAPK9
SCHEMBL3754113 0.75 MAPK8 (0.66) CAMK2DJAK2MAPK8MAPK10MAPK9
SCHEMBL3753705 0.73 MAPK8 (0.64) CAMK2DJAK2MAPK8MAPK10MAPK9
SCHEMBL3753651 0.73 MAPK8 (0.75) CAMK2DJAK2MAPK8MAPK10MAPK9

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
EP-2200436-B1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS SCRIPPS RESEARCH INST (US) 2015-01-21 EP disclosed