SCHEMBL16613762

SCHEMBL16613762

c1ccc(-n2ccc3c2ccc2c4ccccc4n(-c4nc(-c5ccccn5)c5occc5n4)c23)cc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 6/20 0.39
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
PPP1CA P62136 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL16613752 0.88 PIK3CD (0.32) MAPTNPSR1
SCHEMBL16613640 0.87 MCL1 (0.39) MCL1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL16613610 0.86 PIK3CD (0.31) MAPTNPSR1
SCHEMBL16613767 0.85 KDM4E (0.32)
SCHEMBL16613250 0.84 MCL1 (0.37) MCL1MAPTPPP1CA
SCHEMBL16613662 0.84
SCHEMBL16613609 0.84 DUSP3 (0.30)
SCHEMBL16613761 0.84 PDE5A (0.30)
SCHEMBL16613742 0.84 PIK3CD (0.31)
SCHEMBL16613264 0.84 MCL1 (0.38) MCL1

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