SCHEMBL15046241

SCHEMBL15046241

CC1(C)c2ccccc2Nc2cc3c(cc21)-c1ccc(-c2ccc(Br)cc2)cc1C3(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 9/20 0.36
▸ PDK4 Q16654 1/20 0.36
▸ PGR P06401 8/20 0.34
▸ TDP2 O95551 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CDC7 O00311 1/20 0.32
▸ ROCK2 O75116 1/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ PRKACA P17612 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ CLK4 Q9HAZ1 1/20 0.32
▸ IRAK4 Q9NWZ3 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
SCHEMBL1302999 0.87 PDK2 (0.43) PDK2PDK4PGRTDP2ALDH1A1
SCHEMBL15046364 0.84 PDK2 (0.37) PDK2PDK4PGRCDC7ROCK2
SCHEMBL12109291 0.83 PDK2 (0.50) PDK2PDK4PGRALDH1A1
SCHEMBL12109367 0.83 PDK2 (0.50) PDK2PDK4PGRALDH1A1
SCHEMBL12776583 0.81 PDK2 (0.46) PDK2PDK4PGRALDH1A1
SCHEMBL1753743 0.81 PDK2 (0.44) PDK2ALDH1A1MAPK1
SCHEMBL29664880 0.81 PDK2 (0.44) PDK2ALDH1A1MAPK1
SCHEMBL15046236 0.80 PGR (0.37) PDK2PDK4PGRROCK2GSK3B
SCHEMBL824234 0.80 TDP2 (0.42) PDK2PGRTDP2ALDH1A1MAPK1
SCHEMBL15678831 0.79 PDK2 (0.42) PDK2ALDH1A1MAPK1

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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