SCHEMBL6895713

SCHEMBL6895713

CCOCn1nnc(-c2ccc(Cl)cc2)c1-c1ccnc(N(CC)c2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.43
CYP19A1 P11511 1/20 0.35
GPR119 Q8TDV5 1/20 0.32
MAPT P10636 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
GRM2 Q14416 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL6790478 0.90 MAPK14 (0.44) MAPK14CYP19A1MEN1KMT2ANPC1
SCHEMBL6783577 0.82 MAPK14 (0.44) MAPK14CYP19A1MEN1KMT2ANPC1
SCHEMBL6612309 0.82 MAPK14 (0.54) MAPK14CYP19A1MAPTKDM4EL3MBTL1
SCHEMBL6768581 0.81 MAPK14 (0.44) MAPK14MAPTMEN1KMT2ANPC1
SCHEMBL6608972 0.80 MAPK14 (0.56) MAPK14
SCHEMBL6895717 0.78 MKNK1 (0.42) MAPK14CYP19A1MEN1KMT2APTGDR2
SCHEMBL6895721 0.78 MAPK14 (0.54) MAPK14
SCHEMBL6780701 0.75 MAPK14 (0.59) MAPK14
SCHEMBL6613288 0.74 MAPK14 (0.54) MAPK14CYP19A1MAPTKDM4EL3MBTL1
SCHEMBL6773679 0.74 MAPK14 (0.44) MAPK14CYP19A1MAPTMEN1KMT2A

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