SCHEMBL20311704

SCHEMBL20311704

CCC1(C)OB(c2ccc3ncnc(C)c3c2)OC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.46
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
LPL P06858 8/20 0.35
LIPG Q9Y5X9 8/20 0.35
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
HIF1A Q16665 3/20 0.31
SNCA P37840 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30
LMNA P02545 2/20 0.30
CYP1A2 P05177 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30

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
SCHEMBL8033366 0.88 EGFR (0.55) EGFRIDO1TDO2LPLLIPG
SCHEMBL26043142 0.76 EGFR (0.52) EGFRIDO1TDO2LPLLIPG
SCHEMBL26322019 0.74 LIPG (0.42) EGFRLPLLIPGPRMT5WDR77
SCHEMBL30926304 0.74 EGFR (0.52) EGFRIDO1TDO2LPLLIPG
SCHEMBL1585479 0.73 EGFR (0.54) EGFR
SCHEMBL18682054 0.73 LIPG (0.59) LPLLIPG
SCHEMBL19022053 0.72 LPL (0.50) LPLLIPGHIF1A
SCHEMBL30127458 0.71 EGFR (0.52) EGFRIDO1TDO2LPLLIPG
SCHEMBL30126803 0.71 EGFR (0.52) EGFRIDO1TDO2LPLLIPG
SCHEMBL21756263 0.71 EGFR (0.52) EGFRIDO1TDO2LPLLIPG

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2252293-B1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC (US) 2018-06-27 EP disclosed