SCHEMBL8053239

SCHEMBL8053239

Cn1nnc(-c2ccc(Nc3nccc(-c4cccc(N5CC=CCC5)c4)n3)cc2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 5/20 0.57
MAPK10 P53779 5/20 0.57
CAMK2D Q13557 3/20 0.49
MAPK9 P45984 1/20 0.48
JAK2 O60674 6/20 0.47
LDLR P01130 1/20 0.42
KIT P10721 1/20 0.42
PCSK9 Q8NBP7 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CCNA1 P78396 1/20 0.42
STK17A Q9UEE5 1/20 0.42
FLT3 P36888 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CDK5 Q00535 1/20 0.42
KMT2A Q03164 1/20 0.42
CDK5R1 Q15078 1/20 0.42
PLK1 P53350 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
SCHEMBL3753651 0.87 MAPK8 (0.75) MAPK8MAPK10CAMK2DMAPK9JAK2
SCHEMBL16404665 0.78 CAMK2D (0.59) MAPK8MAPK10CAMK2DMAPK9JAK2
SCHEMBL3753705 0.77 MAPK8 (0.64) MAPK8MAPK10CAMK2DMAPK9JAK2
SCHEMBL3753582 0.73 MAPK8 (0.68) MAPK8MAPK10CAMK2DMAPK9JAK2
SCHEMBL3753107 0.73 MAPK8 (0.61) MAPK8MAPK10CAMK2DMAPK9JAK2
SCHEMBL3759434 0.73 MAPK8 (1.00) MAPK8MAPK10CAMK2DMAPK9JAK2
SCHEMBL3756427 0.72 MAPK8 (0.60) MAPK8MAPK10JAK2CCNA2CDK2
SCHEMBL3753544 0.71 MAPK8 (0.80) MAPK8MAPK10CAMK2DMAPK9JAK2
SCHEMBL3754113 0.71 MAPK8 (0.66) MAPK8MAPK10CAMK2DMAPK9JAK2
SCHEMBL3759173 0.70 MAPK8 (0.74) MAPK8MAPK10JAK2CCNA2CDK2

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