SCHEMBL6618212

SCHEMBL6618212

O=C(Nc1ccc(-c2cc(C3CC3)n(C(=O)NCc3ccc(F)cc3)n2)c(O)c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 2/20 0.43
▸ POLB P06746 1/20 0.42
▸ CTDSP1 Q9GZU7 1/20 0.42
▸ RAF1 P04049 4/20 0.42
▸ LMNA P02545 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ USP36 Q9P275 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ BRAF P15056 2/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ KCNQ3 O43525 1/20 0.41
▸ KCNQ2 O43526 1/20 0.41
▸ KCNE1 P15382 1/20 0.41
▸ KCNQ1 P51787 1/20 0.41

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
SCHEMBL6615137 0.93 RAF1 (0.41) CCR2POLBCTDSP1RAF1USP36
SCHEMBL6614038 0.91 KCNK3 (0.44) CCR2POLBCTDSP1RAF1LMNA
SCHEMBL6618177 0.88 POLB (0.47) POLBCTDSP1RAF1LMNAMEN1
SCHEMBL6615882 0.87 NR1H4 (0.41) MEN1KMT2A
SCHEMBL6620165 0.86 RAF1 (0.44) POLBCTDSP1RAF1LMNABRAF
SCHEMBL6617712 0.86 RAF1 (0.44) CCR2POLBRAF1LMNAMEN1
SCHEMBL6618316 0.85 MAPT (0.42) LMNAMAPTALDH1A1
SCHEMBL6614620 0.85 RAF1 (0.47) POLBCTDSP1RAF1LMNAMEN1
SCHEMBL6616422 0.85 NAMPT (0.45) DDR2
SCHEMBL6651874 0.84 POLB (0.47) POLBCTDSP1RAF1MEN1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458379-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2004-09-22 — — EP disclosed
WO-2003051358-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA SPA (IT) 2003-06-26 — — WO disclosed
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