SCHEMBL6616122

SCHEMBL6616122

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

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 15/20 0.46
▸ BRAF P15056 12/20 0.46
▸ POLB P06746 1/20 0.44
▸ CTDSP1 Q9GZU7 1/20 0.44
▸ ADCY8 P40145 1/20 0.43
▸ ADCY1 Q08828 1/20 0.43
▸ DDR2 Q16832 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
SCHEMBL6618177 0.92 POLB (0.47) RAF1BRAFPOLBCTDSP1
SCHEMBL6617382 0.90 RAF1 (0.42) RAF1BRAFPOLBCTDSP1ADCY8
SCHEMBL6606393 0.90 NPSR1 (0.47) RAF1BRAFPOLBCTDSP1ADCY8
SCHEMBL6615137 0.89 RAF1 (0.41) RAF1BRAFPOLBCTDSP1ADCY8
SCHEMBL6685899 0.89 RAF1 (0.42) RAF1BRAFPOLB
SCHEMBL6620165 0.89 RAF1 (0.44) RAF1BRAFPOLBCTDSP1
SCHEMBL6617712 0.88 RAF1 (0.44) RAF1BRAFPOLB
SCHEMBL6621242 0.88 TP53 (0.49) RAF1BRAFADCY8ADCY1DDR2
SCHEMBL6672260 0.88 MEN1 (0.45) RAF1BRAF
SCHEMBL6617441 0.88 RAF1 (0.45) RAF1BRAF

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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