SCHEMBL6651874

SCHEMBL6651874

CCCNC(=O)n1nc(-c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2O)cc1C1CCC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ RAF1 P04049 12/20 0.44
▸ BRAF P15056 9/20 0.43
▸ CHRM4 P08173 1/20 0.42
▸ CHRM5 P08912 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ CHRM3 P20309 1/20 0.42
▸ CTDSP1 Q9GZU7 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PTGS1 P23219 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 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
SCHEMBL6618177 0.90 POLB (0.47) POLBALDH1A1RAF1BRAFCHRM4
SCHEMBL6685899 0.89 RAF1 (0.42) POLBALDH1A1RAF1BRAF
SCHEMBL6614038 0.88 KCNK3 (0.44) POLBRAF1BRAFCTDSP1PTGS1
SCHEMBL6615089 0.88 POLB (0.42) POLBRAF1BRAFCTDSP1MAPT
SCHEMBL6615991 0.88 NPSR1 (0.46) POLBRAF1BRAFCTDSP1PTGS1
SCHEMBL6616122 0.88 RAF1 (0.46) POLBRAF1BRAFCTDSP1
SCHEMBL6626821 0.87 RAF1 (0.46) POLBRAF1BRAFCTDSP1MAPT
SCHEMBL6620772 0.86 MEN1 (0.40) MAPTMEN1RAB9AKMT2A
SCHEMBL6619971 0.86 RAF1 (0.43) POLBRAF1BRAFCTDSP1
SCHEMBL6615338 0.84 RAF1 (0.44) POLBALDH1A1RAF1BRAFCHRM4

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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