SCHEMBL6606393

SCHEMBL6606393

CC(C)NC(=O)n1nc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2O)cc1C1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.47
▸ RAF1 P04049 14/20 0.46
▸ BRAF P15056 9/20 0.44
▸ ADCY8 P40145 1/20 0.43
▸ ADCY1 Q08828 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 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
SCHEMBL6615991 0.94 NPSR1 (0.46) NPSR1RAF1BRAFADCY8ADCY1
SCHEMBL6616122 0.90 RAF1 (0.46) RAF1BRAFADCY8ADCY1POLB
SCHEMBL6617382 0.86 RAF1 (0.42) RAF1BRAFADCY8ADCY1POLB
SCHEMBL6615338 0.85 RAF1 (0.44) RAF1BRAFPOLBCTDSP1MEN1
SCHEMBL6615137 0.85 RAF1 (0.41) RAF1BRAFADCY8ADCY1POLB
SCHEMBL6620165 0.85 RAF1 (0.44) RAF1BRAFPOLBCTDSP1
SCHEMBL6617712 0.84 RAF1 (0.44) RAF1BRAFPOLBMEN1KMT2A
SCHEMBL6619006 0.84 CRACR2A (0.46) POLBMEN1KMT2A
SCHEMBL6617441 0.84 RAF1 (0.45) RAF1BRAF
SCHEMBL6672260 0.84 MEN1 (0.45) RAF1BRAFMEN1KMT2A

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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