SCHEMBL16613346

SCHEMBL16613346

c1ccc2c(c1)sc1c(-c3nc(-n4c5ccccc5c5ccccc54)nc4cscc34)cccc12

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.36
ADK P55263 1/20 0.36
PARP14 Q460N5 1/20 0.34
PRKDC P78527 7/20 0.34
PIK3CD O00329 2/20 0.34
PIK3CB P42338 2/20 0.34
HTT P42858 1/20 0.31
PAX8 Q06710 1/20 0.31
DUSP3 P51452 1/20 0.31
BRD4 O60885 1/20 0.30
PIK3CA P42336 1/20 0.30
MTOR P42345 1/20 0.30
PIK3CG P48736 1/20 0.30
KCNH2 Q12809 1/20 0.30
BRDT Q58F21 1/20 0.30
MAPT P10636 1/20 0.30
CCNC P24863 1/20 0.30
CDK8 P49336 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
SCHEMBL16613483 0.90 ADK (0.32) ALOX5ADKPRKDCPIK3CDPIK3CB
SCHEMBL16613259 0.84 ADK (0.31) ADK
SCHEMBL16613388 0.84 PRKDC (0.36) ALOX5ADKPARP14PRKDCPIK3CD
SCHEMBL16613251 0.83 ALDH1A1 (0.35) DUSP3MAPT
SCHEMBL16613750 0.82 ALOX5 (0.36) ALOX5ADKPARP14PRKDCPIK3CD
SCHEMBL21213733 0.81 ALOX5 (0.36) ALOX5ADKPARP14PRKDCPIK3CD
SCHEMBL16613260 0.81 TUBB4A (0.34) DUSP3MAPT
SCHEMBL16613666 0.81 PRKDC (0.37) ALOX5ADKPARP14PRKDCPIK3CD
SCHEMBL16613321 0.81 ALOX5 (0.33) ALOX5ADKPARP14PRKDCPIK3CD
SCHEMBL21161559 0.81 ALOX5 (0.36) ALOX5ADKPARP14PRKDCPIK3CD

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-2015047058-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-04-02 WO disclosed