SCHEMBL17898384

SCHEMBL17898384

N#Cc1ccc(-c2nc(-c3ccc(C#N)cc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.45
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PTGER4 P35408 2/20 0.41
ABCG2 Q9UNQ0 8/20 0.41
ABCB1 P08183 4/20 0.41
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PGR P06401 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
KDM1A O60341 1/20 0.38
ABCC1 P33527 1/20 0.38

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
SCHEMBL17897500 0.99 KDM4E (0.44) ATMKDM4EL3MBTL1PTGER4ABCG2
SCHEMBL17032765 0.95 KDM4E (0.43) ATMKDM4EL3MBTL1PTGER4ABCG2
SCHEMBL16939425 0.94 ABCG2 (0.44) ATMKDM4EL3MBTL1PTGER4ABCG2
SCHEMBL17898428 0.93 CYP1A2 (0.47) ATMKDM4EL3MBTL1PTGER4ABCG2
SCHEMBL16939431 0.93 CYP1A2 (0.41) ATMKDM4EL3MBTL1PTGER4ABCG2
SCHEMBL17897503 0.93 ABCG2 (0.46) ATMKDM4EL3MBTL1PTGER4ABCG2
SCHEMBL17032758 0.93 KDM4E (0.41) ATMKDM4EL3MBTL1PTGER4ABCG2
SCHEMBL16939475 0.93 ABCG2 (0.44) ATMKDM4EL3MBTL1PTGER4ABCG2
SCHEMBL16939436 0.93 ABCG2 (0.44) ATMKDM4EL3MBTL1PTGER4ABCG2
SCHEMBL16939430 0.93 ABCG2 (0.44) ATMKDM4EL3MBTL1PTGER4ABCG2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10297761-B2 Organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2019-05-21 US disclosed
US-20160197286-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 US disclosed