SCHEMBL17039580

SCHEMBL17039580

c1ccc(-c2nc(-c3ccccc3)nc(-c3nc(-n4c5ccccc5c5ccc6c(ccn6-c6ccccc6)c54)n4ccccc34)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.31
▸ ATM Q13315 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ CTDSP1 Q9GZU7 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
SCHEMBL17039573 0.92 MEN1 (0.36) KDM4EATML3MBTL1POLBCTDSP1
SCHEMBL17039579 0.88 MEN1 (0.32) KDM4EATML3MBTL1POLB
SCHEMBL17039583 0.87 RAD51 (0.33) KDM4EATML3MBTL1POLB
SCHEMBL17039587 0.86 RAD51 (0.41) KDM4EATML3MBTL1POLB
SCHEMBL17039588 0.84 KDM4E (0.35) KDM4EATML3MBTL1POLBCTDSP1
SCHEMBL17039584 0.84 DUSP3 (0.33) KDM4EATML3MBTL1POLBCTDSP1
SCHEMBL15989432 0.84 KDM4E (0.38) KDM4EATML3MBTL1POLBCTDSP1
SCHEMBL17039576 0.83 RAD51 (0.31) —
SCHEMBL20408511 0.82 KDM4E (0.41) KDM4EATML3MBTL1POLBCTDSP1
SCHEMBL17039574 0.82 RORC (0.31) —

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-2015126161-A2 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 — — WO disclosed
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