SCHEMBL17039587

SCHEMBL17039587

c1ccc(-n2ccc3c2ccc2c4ccccc4n(-c4nc(-c5ccncc5)c5ccccn45)c23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAD51 Q06609 2/20 0.41
▸ MAP2K3 P46734 1/20 0.40
▸ HIF1A Q16665 1/20 0.36
▸ EPAS1 Q99814 1/20 0.36
▸ DYRK1A Q13627 1/20 0.33
▸ KMT2A Q03164 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ KDM4E B2RXH2 3/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ ATM Q13315 1/20 0.31
▸ ALDH1A1 P00352 3/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RORC P51449 1/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ MAPK9 P45984 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
SCHEMBL17039573 0.94 MEN1 (0.36) RAD51MAP2K3HIF1AEPAS1KMT2A
SCHEMBL17039579 0.88 MEN1 (0.32) KMT2AMEN1HPGDPOLBGAA
SCHEMBL17039583 0.87 RAD51 (0.33) RAD51KMT2AMEN1HPGDPOLB
SCHEMBL17039574 0.86 RORC (0.31) RORC
SCHEMBL17039580 0.86 KDM4E (0.31) POLBKDM4EL3MBTL1ATM
SCHEMBL17039588 0.84 KDM4E (0.35) POLBKDM4EL3MBTL1ATM
SCHEMBL17039584 0.84 DUSP3 (0.33) POLBKDM4EL3MBTL1ATM
SCHEMBL17039576 0.83 RAD51 (0.31) RAD51
SCHEMBL17039577 0.82 DUSP3 (0.32) KDM4EL3MBTL1ATM
SCHEMBL17039378 0.81 RAD51 (0.56) RAD51MAP2K3HIF1AEPAS1KMT2A

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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