SCHEMBL5043788

SCHEMBL5043788

CC(c1ccccc1-c1cnn(Cc2ccccc2)c1)c1ncccc1Nc1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
CREBBP Q92793 9/20 0.41
MAPK1 P28482 1/20 0.40
PIK3CD O00329 1/20 0.38
ALK Q9UM73 1/20 0.38
KDM5B Q9UGL1 1/20 0.37
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
IKBKE Q14164 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
PDK2 Q15119 1/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
USP1 O94782 1/20 0.36

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
SCHEMBL5043791 0.79 L3MBTL1 (0.50) L3MBTL1CREBBPMAPK1PIK3CDALK
SCHEMBL10094327 0.74 L3MBTL1 (0.60) L3MBTL1CREBBPPIK3CDALKKDM5B
SCHEMBL1368851 0.73 L3MBTL1 (0.55) L3MBTL1CREBBPMAPK1PIK3CDKDM5B
SCHEMBL10094468 0.70 L3MBTL1 (0.55) L3MBTL1CREBBPPIK3CDKDM5BMKNK1
SCHEMBL10094217 0.70 KDR (0.43) L3MBTL1
SCHEMBL4784136 0.69 L3MBTL1 (0.60) L3MBTL1CREBBPMAPK1PIK3CDALK
SCHEMBL2063286 0.66 KCNA5 (0.64) L3MBTL1CREBBPMAPK1PDK2
SCHEMBL2695034 0.66 L3MBTL1 (0.46) L3MBTL1CREBBPMAPK1PIK3CDALK
SCHEMBL10094644 0.65 CREBBP (0.69) L3MBTL1CREBBPPIK3CDALKPDK2
SCHEMBL21937939 0.65 CREBBP (0.77) L3MBTL1CREBBPALK

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
EP-1993551-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2008-11-26 EP disclosed
WO-2007089735-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 WO disclosed