SCHEMBL6615991

SCHEMBL6615991

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.46
▸ RAF1 P04049 9/20 0.45
▸ POLB P06746 1/20 0.44
▸ CTDSP1 Q9GZU7 1/20 0.44
▸ BRAF P15056 6/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ MAPK14 Q16539 1/20 0.43
▸ TRPV4 Q9HBA0 1/20 0.43
▸ ADCY8 P40145 1/20 0.43
▸ ADCY1 Q08828 1/20 0.43
▸ KCNK3 O14649 2/20 0.43
▸ KCNK9 Q9NPC2 1/20 0.43

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
SCHEMBL6606393 0.94 NPSR1 (0.47) NPSR1RAF1POLBCTDSP1BRAF
SCHEMBL6615338 0.90 RAF1 (0.44) RAF1POLBCTDSP1BRAFPTGS1
SCHEMBL6626821 0.89 RAF1 (0.46) RAF1POLBCTDSP1BRAFPTGS1
SCHEMBL6651874 0.88 POLB (0.47) RAF1POLBCTDSP1BRAFPTGS1
SCHEMBL6618177 0.86 POLB (0.47) RAF1POLBCTDSP1BRAFPTGS1
SCHEMBL6614038 0.86 KCNK3 (0.44) RAF1POLBCTDSP1BRAFPTGS1
SCHEMBL6615089 0.86 POLB (0.42) RAF1POLBCTDSP1BRAFPTGS1
SCHEMBL6614620 0.86 RAF1 (0.47) RAF1POLBCTDSP1BRAFPTGS1
SCHEMBL6621127 0.85 MEN1 (0.41) NPSR1MEN1RAB9AKMT2AMAPK14
SCHEMBL6616122 0.83 RAF1 (0.46) RAF1POLBCTDSP1BRAFADCY8

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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