SCHEMBL28818339

SCHEMBL28818339

c1ccc(-c2ccc(-c3ccc4[nH]c5ccc(-c6ccccn6)cc5c4c3)cc2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.48
CHEK1 O14757 1/20 0.46
PIM1 P11309 1/20 0.45
PIM3 Q86V86 1/20 0.45
PRMT5 O14744 2/20 0.44
WDR77 Q9BQA1 1/20 0.44
KDM4E B2RXH2 3/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 2/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 2/20 0.42
POLB P06746 1/20 0.42
CCR1 P32246 1/20 0.42
CCR5 P51681 1/20 0.42
CCR8 P51685 1/20 0.42
METAP1 P53582 1/20 0.42

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
SCHEMBL19185823 0.95 CHEK1 (0.49) AURKACHEK1PIM1PIM3PRMT5
SCHEMBL28008725 0.94 AURKA (0.49) AURKACHEK1KDM4ENPC1MAPT
SCHEMBL12249863 0.90 AHR (0.50) AURKACHEK1PIM1PIM3PRMT5
SCHEMBL28009141 0.83 CHUK (0.57) AURKACHEK1PIM1KDM4EMAPT
SCHEMBL4871050 0.80 AHR (0.50) AURKAPIM1PRMT5WDR77KDM4E
SCHEMBL30411263 0.80 AHR (0.50) AURKAPIM1PRMT5WDR77KDM4E
SCHEMBL28009143 0.80 BRD4 (0.46) AURKACHEK1PIM1PIM3PRMT5
SCHEMBL20009981 0.80 HPGDS (0.45) AURKACHEK1PIM1PRMT5WDR77
SCHEMBL23098928 0.79 BCHE (0.45) MKNK1
SCHEMBL30526280 0.79 BCHE (0.45) MKNK1

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
CN-104507927-A Cyclic azine compound, method for producing same, and organic electroluminescent element containing same TOSOH CORP 2015-04-08 CN disclosed