SCHEMBL23328933

SCHEMBL23328933

N#Cc1cc(C#N)cc(-c2ccc(N(c3ccc(-c4cc(C#N)cc(C#N)c4)cc3)c3cccc4c3oc3ccccc34)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 2/20 0.40
ALOX5 P09917 3/20 0.38
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
ADORA2A P29274 1/20 0.32
PGR P06401 2/20 0.32
PLA2G2A P14555 2/20 0.31
PLA2G4A P47712 2/20 0.31
AHR P35869 1/20 0.31
AR P10275 2/20 0.30
GRM5 P41594 2/20 0.30
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 1/20 0.30
MEN1 O00255 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALPI P09923 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 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
SCHEMBL25544523 0.98 TNKS (0.40) TNKSALOX5CCNT1CDK9ADORA2A
SCHEMBL25544467 0.92 TNKS (0.35) TNKSALOX5PGRKDM4EALDH1A1
SCHEMBL14325126 0.91 TNKS (0.45) TNKSALOX5CCNT1CDK9ADORA2A
SCHEMBL23328931 0.91 TNKS (0.45) TNKSALOX5CCNT1CDK9ADORA2A
SCHEMBL25544358 0.89 TNKS (0.45) TNKSALOX5CCNT1CDK9ADORA2A
SCHEMBL25543394 0.88 TNKS (0.35) TNKSALOX5KDM4EALDH1A1
SCHEMBL14295617 0.88 TNKS (0.42) TNKSALOX5ADORA2AARALDH1A1
SCHEMBL14295623 0.87 TNKS (0.41) TNKSALOX5ADORA2AARALDH1A1
SCHEMBL23328766 0.87 ALOX5 (0.48) TNKSALOX5CCNT1CDK9ADORA2A
SCHEMBL25544360 0.87 ALOX5 (0.48) TNKSALOX5CCNT1CDK9ADORA2A

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-2021085817-A2 TERTIARY AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 랩토 2021-05-06 WO disclosed