SCHEMBL6895717

SCHEMBL6895717

CCOCn1nnc(-c2ccc(Cl)cc2)c1-c1ccnc(NCCc2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 3/20 0.42
MKNK2 Q9HBH9 2/20 0.42
MYLK Q15746 1/20 0.42
MAPK14 Q16539 1/20 0.41
MRGPRX1 Q96LB2 2/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
OGA O60502 3/20 0.39
HTR7 P34969 2/20 0.39
DYRK1A Q13627 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
DYRK1B Q9Y463 2/20 0.39
CLK1 P49759 1/20 0.39
CLK2 P49760 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
SLC6A2 P23975 1/20 0.39
HRH2 P25021 1/20 0.39
HTR1D P28221 1/20 0.39
HTR2A P28223 1/20 0.39

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
SCHEMBL6790483 0.92 DYRK1A (0.48) MKNK1MAPK14KMT2ADYRK1ACLK4
SCHEMBL6783578 0.85 DYRK1A (0.48) MKNK1MAPK14KMT2ADYRK1ACLK4
SCHEMBL6608979 0.83 MAPK14 (0.55) MKNK1MAPK14
SCHEMBL6895721 0.82 MAPK14 (0.54) MAPK14DYRK1ACLK4
SCHEMBL6612309 0.80 MAPK14 (0.54) MAPK14CYP19A1
SCHEMBL6768581 0.79 MAPK14 (0.44) MAPK14MEN1KMT2A
SCHEMBL6790478 0.78 MAPK14 (0.44) MAPK14MEN1KMT2ADYRK1ACDK2
SCHEMBL6780704 0.78 MAPK14 (0.58) MKNK1MAPK14CLK4CLK2
SCHEMBL6895713 0.78 MAPK14 (0.43) MAPK14MEN1KMT2ACYP19A1PTGDR2
SCHEMBL6781430 0.76 MAPK14 (0.56) MAPK14CDK2

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
US-6787555-B2 SUCH AS 4-(4-FLUOROPHENYL)-5-(2-PHENYLMETHYLAMINO)PYRIMIDIN-4-YL)-1-ETHOXYMETHYL -(1,2,3)TRIAZOLE FOR INHIBITION OF RELEASE OF INFLAMMATORY INTERLEUKINS; FOR TREATMENT OF OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, AND CONGESTIVE HEART FAILURE THE PROCTER & GAMBLE COMPANY 2004-09-07 US claimed