SCHEMBL16613640

SCHEMBL16613640

c1ccc(-n2ccc3c2ccc2c4ccccc4n(-c4nc(-c5ccccn5)c5c(ccn5-c5ccccc5)n4)c23)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 6/20 0.39
MAPT P10636 2/20 0.31
PPP1CA P62136 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
RAB9A P51151 1/20 0.31
HIF1A Q16665 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NPY5R Q15761 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ATM Q13315 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
SCHEMBL16613642 0.90 MCL1 (0.42) MCL1MAPTPPP1CAL3MBTL1RAB9A
SCHEMBL16613250 0.88 MCL1 (0.37) MCL1MAPTPPP1CAL3MBTL1RAB9A
SCHEMBL16613264 0.87 MCL1 (0.38) MCL1L3MBTL1NPY5RKDM4EATM
SCHEMBL16613762 0.87 MCL1 (0.39) MCL1MAPTPPP1CACYP1A2CYP2C9
SCHEMBL16613630 0.87 KDM4E (0.34) MAPTL3MBTL1NPSR1KDM4EATM
SCHEMBL15596406 0.87 MAPT (0.37) MCL1MAPTPPP1CAL3MBTL1RAB9A
SCHEMBL16613726 0.86 ADORA1 (0.41) MCL1
SCHEMBL15632092 0.86 L3MBTL1 (0.39) MCL1MAPTPPP1CAL3MBTL1RAB9A
SCHEMBL16613639 0.85 KDM4E (0.33) MAPTL3MBTL1NPSR1KDM4EATM
SCHEMBL16613572 0.84 KDM4E (0.34) L3MBTL1KDM4EATM

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