SCHEMBL16613381

SCHEMBL16613381

c1ccc(-n2cc3nc(-n4c5ccccc5c5ccccc54)nc(-c4ccccn4)c3c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 6/20 0.40
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ATM Q13315 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
PPP1CA P62136 1/20 0.36
HIF1A Q16665 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
METAP1 P53582 5/20 0.34
NPC1 O15118 1/20 0.34
TGFBR1 P36897 1/20 0.33
MAPK14 Q16539 1/20 0.33
NPY5R Q15761 1/20 0.33

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
SCHEMBL16613297 0.90 MCL1 (0.34) MCL1L3MBTL1KDM4EMAPTRAB9A
SCHEMBL12014847 0.85 MCL1 (0.47) MCL1L3MBTL1KDM4EMAPTRAB9A
SCHEMBL16613298 0.84 KDM4E (0.44) L3MBTL1KDM4EATMMAPTTDP1
SCHEMBL16613319 0.81 KDM4E (0.43) L3MBTL1KDM4EATMMAPTTDP1
SCHEMBL16613379 0.80 KDM4E (0.38) L3MBTL1KDM4EATMMAPTHIF1A
SCHEMBL16613318 0.80 KDM4E (0.37) L3MBTL1KDM4EATMMAPT
SCHEMBL16613380 0.80 KDM4E (0.37) L3MBTL1KDM4EATMMAPTTDP1
SCHEMBL16613292 0.80 KDM4E (0.37) L3MBTL1KDM4EATMMAPT
SCHEMBL16613293 0.79 KDM4E (0.40) L3MBTL1KDM4EATM
SCHEMBL16613271 0.79 KDM4E (0.37) L3MBTL1KDM4EATMMAPTRAB9A

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