SCHEMBL6615089

SCHEMBL6615089

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.42
▸ CTDSP1 Q9GZU7 1/20 0.42
▸ RAF1 P04049 7/20 0.42
▸ PTGS1 P23219 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ BRAF P15056 5/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ ADCY8 P40145 1/20 0.41
▸ ADCY1 Q08828 1/20 0.41
▸ BTK Q06187 1/20 0.40
▸ KCNK3 O14649 1/20 0.40
▸ CCR2 P41597 1/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL6617382 0.94 RAF1 (0.42) POLBCTDSP1RAF1PTGS1LMNA
SCHEMBL6651874 0.88 POLB (0.47) POLBCTDSP1RAF1PTGS1BRAF
SCHEMBL6614038 0.88 KCNK3 (0.44) POLBCTDSP1RAF1PTGS1LMNA
SCHEMBL6626821 0.86 RAF1 (0.46) POLBCTDSP1RAF1PTGS1LMNA
SCHEMBL6618177 0.86 POLB (0.47) POLBCTDSP1RAF1PTGS1LMNA
SCHEMBL6615991 0.86 NPSR1 (0.46) POLBCTDSP1RAF1PTGS1BRAF
SCHEMBL6603511 0.86 MEN1 (0.39) LMNAMAPK14MAPT
SCHEMBL6616122 0.84 RAF1 (0.46) POLBCTDSP1RAF1BRAFADCY8
SCHEMBL6620165 0.83 RAF1 (0.44) POLBCTDSP1RAF1LMNABRAF
SCHEMBL6618212 0.83 CCR2 (0.43) POLBCTDSP1RAF1PTGS1LMNA

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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