SCHEMBL3262278

SCHEMBL3262278

Cc1nc2cc(B3OC(C)(C)C(C)(C)O3)ccc2c(=O)n1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.45
TDO2 P48775 1/20 0.45
PARG Q86W56 1/20 0.40
CSF1R P07333 1/20 0.39
PRMT5 O14744 2/20 0.39
WDR77 Q9BQA1 2/20 0.39
IRAK4 Q9NWZ3 1/20 0.38
LPL P06858 4/20 0.36
LIPG Q9Y5X9 4/20 0.36
ALDH1A1 P00352 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
SNCA P37840 1/20 0.33
EGFR P00533 1/20 0.33
CA12 O43570 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33

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
SCHEMBL6584423 0.81 MAPT (0.44) IDO1TDO2IRAK4LPLLIPG
SCHEMBL6919556 0.78 IRAK4 (0.46) IDO1TDO2IRAK4LPLLIPG
SCHEMBL14658864 0.77 L3MBTL1 (0.43) IDO1TDO2CSF1RPRMT5WDR77
SCHEMBL30820850 0.77 L3MBTL1 (0.43) IDO1TDO2CSF1RPRMT5WDR77
SCHEMBL31037319 0.75 KDM4E (0.48) IDO1TDO2PARGCSF1RPRMT5
SCHEMBL3263196 0.75 KDM4E (0.48) IDO1TDO2PARGCSF1RPRMT5
SCHEMBL5986479 0.74 CYP3A4 (0.48) TDO2PARGALDH1A1KMT2A
SCHEMBL14238895 0.72 IDO1 (0.40) IDO1TDO2PRMT5WDR77ALDH1A1
SCHEMBL149215 0.72 IDO1 (0.38) IDO1TDO2CSF1RPRMT5WDR77
SCHEMBL26170011 0.72 IRAK4 (0.44) IDO1TDO2CSF1RPRMT5WDR77

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