SCHEMBL15046236

SCHEMBL15046236

CC(=O)P(=O)(C(C)=O)c1ccc(-c2ccc3c(c2)C(C)(C)c2cc4c(cc2-3)C(C)(C)c2ccccc2N4)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 4/20 0.37
▸ PDK2 Q15119 12/20 0.35
▸ CHEK1 O14757 3/20 0.35
▸ PDK4 Q16654 1/20 0.34
▸ ROCK2 O75116 1/20 0.31
▸ CSF1R P07333 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ FLT3 P36888 1/20 0.31
▸ GSK3A P49840 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ CDK5 Q00535 1/20 0.31
▸ ROCK1 Q13464 1/20 0.31
▸ SLK Q9H2G2 1/20 0.31
▸ IRAK4 Q9NWZ3 1/20 0.31

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
SCHEMBL15046241 0.80 PDK2 (0.36) PGRPDK2PDK4ROCK2GSK3B
SCHEMBL15046364 0.79 PDK2 (0.37) PGRPDK2CHEK1PDK4ROCK2
SCHEMBL15046376 0.78 PDK2 (0.34) PDK2PDK4
SCHEMBL12109291 0.76 PDK2 (0.50) PGRPDK2PDK4CDK5
SCHEMBL12109367 0.76 PDK2 (0.50) PGRPDK2PDK4CDK5
SCHEMBL15046238 0.76 PDK2 (0.33) PGRPDK2
SCHEMBL12776583 0.75 PDK2 (0.46) PGRPDK2PDK4
SCHEMBL12109350 0.72 PDK2 (0.52) PGRPDK2PDK4
SCHEMBL15046445 0.71 PGR (0.30) PGRPDK2
SCHEMBL16629748 0.70 PGR (0.49) PGRPDK2PDK4

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
WO-2013089460-A1 NOVEL CHEMICAL COMPOUND HAVING AN ACRIDINE STRUCTURE, AND ORGANIC LIGHT-EMITTING DIODE USING SAME 주식회사 두산 (KR) 2013-06-20 — — WO disclosed
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