SCHEMBL16613264

SCHEMBL16613264

c1ccc(-n2ccc3c2ccc2c4ccccc4n(-c4nc(-c5ccccn5)c5ccn(-c6ccccc6)c5n4)c23)cc1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 6/20 0.38
NPY5R Q15761 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL16613366 0.90 MCL1 (0.38) MCL1NPY5RKDM4EATML3MBTL1
SCHEMBL16613640 0.87 MCL1 (0.39) MCL1NPY5RKDM4EATML3MBTL1
SCHEMBL16613589 0.87 MCL1 (0.35) MCL1NPY5RKDM4EATML3MBTL1
SCHEMBL16613250 0.87 MCL1 (0.37) MCL1L3MBTL1
SCHEMBL15632092 0.86 L3MBTL1 (0.39) MCL1KDM4EATML3MBTL1
SCHEMBL16613247 0.86 KDM4E (0.34) KDM4EATML3MBTL1
SCHEMBL16613458 0.86 MCL1 (0.35) MCL1
SCHEMBL16613234 0.85 KDM4E (0.33) KDM4EATML3MBTL1
SCHEMBL16613762 0.84 MCL1 (0.39) MCL1
SCHEMBL16613310 0.84 KDM4E (0.35) KDM4EATML3MBTL1

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-2015047058-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-04-02 WO disclosed