SCHEMBL16613622

SCHEMBL16613622

CC1(C)C=Cc2nc(-n3c4ccccc4c4ccccc43)nc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)c21

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DUSP3 P51452 1/20 0.36
MAPK1 P28482 1/20 0.33
HTT P42858 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
SCHEMBL16613524 0.87 DUSP3 (0.32) KDM4EATML3MBTL1DUSP3
SCHEMBL16613512 0.86 DUSP3 (0.32) KDM4EATML3MBTL1DUSP3
SCHEMBL16613547 0.86 TUBB4A (0.36) KDM4EDUSP3
SCHEMBL16613438 0.84 KDM4E (0.36) KDM4EATML3MBTL1DUSP3MAPK1
SCHEMBL16613513 0.84 TUBB4A (0.35) DUSP3
SCHEMBL16613525 0.83 KDM4E (0.36) KDM4EATML3MBTL1MAPK1HTT
SCHEMBL16613526 0.81 KDM4E (0.35) KDM4EATML3MBTL1MAPK1HTT
SCHEMBL16613514 0.81 DUSP3 (0.30) DUSP3
SCHEMBL16613690 0.81 DUSP3 (0.31) DUSP3
SCHEMBL16613694 0.80 PARP14 (0.35) DUSP3HTT

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