SCHEMBL3261065

SCHEMBL3261065

CC1(C)OB(c2cc(F)c3[nH]cnc(=O)c3c2)OC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.34
LPL P06858 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
PRMT5 O14744 2/20 0.32
WDR77 Q9BQA1 2/20 0.32
ROCK1 Q13464 1/20 0.32

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
SCHEMBL3225882 0.76 PRMT5 (0.40) EGFRLPLLIPGIDO1TDO2
SCHEMBL3263058 0.73 PRMT5 (0.40) EGFRLPLLIPGIDO1TDO2
SCHEMBL20600698 0.72 LPL (0.37) EGFRLPLLIPGROCK1
SCHEMBL3226647 0.70 PIM1 (0.41)
SCHEMBL25025760 0.70 GSK3A (0.35) EGFRLPLLIPGGSK3AGSK3B
SCHEMBL30233508 0.70 GSK3A (0.35) EGFRLPLLIPGGSK3AGSK3B
SCHEMBL29016499 0.68 LPL (0.47) EGFRLPLLIPGROCK1
SCHEMBL22690886 0.68 LPL (0.41) LPLLIPGIDO1TDO2PRMT5
SCHEMBL1564647 0.68 LPL (0.41) LPLLIPGROCK1
SCHEMBL6691092 0.68 LPL (0.50) LPLLIPGROCK1

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
WO-2010020366-A1 AZABICYCLIC SUBSTITUTED 5-AMINOPYRAZOLES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-25 WO disclosed
WO-2010020366-A1 AZABICYCLIC SUBSTITUTED 5-AMINOPYRAZOLES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-25 WO disclosed