SCHEMBL23328909

SCHEMBL23328909

N#Cc1ccc(N(c2ccc(C#N)cc2)c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.49
PARP14 Q460N5 1/20 0.38
PRKDC P78527 3/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.33
PRSS12 P56730 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
GPR3 P46089 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LIMK1 P53667 1/20 0.33
PDE10A Q9Y233 1/20 0.32
PTGS2 P35354 1/20 0.32
KDM1A O60341 1/20 0.32
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32

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
SCHEMBL25543176 1.00 ALOX5 (0.49) ALOX5PARP14PRKDCPTGDR2ABCG2
SCHEMBL25544087 0.99 ALOX5 (0.48) ALOX5PARP14PRKDCPTGDR2ABCG2
SCHEMBL23328442 0.99 ALOX5 (0.48) ALOX5PARP14PRKDCPTGDR2ABCG2
SCHEMBL25543399 0.91 ALOX5 (0.49) ALOX5PARP14PRKDCPRSS12GPR3
SCHEMBL25544362 0.90 ALOX5 (0.48) ALOX5PARP14PRKDCPRSS12GPR3
SCHEMBL23328443 0.90 ALOX5 (0.48) ALOX5PARP14PRKDCPRSS12GPR3
SCHEMBL23204733 0.90 ALOX5 (0.45) ALOX5PARP14PRKDCPTGDR2PRSS12
SCHEMBL23204701 0.90 ALOX5 (0.45) ALOX5PARP14PRKDCPTGDR2PRSS12
SCHEMBL74719 0.89 ALOX5 (0.59) ALOX5PARP14PRKDCGPR3ATM
SCHEMBL23328448 0.89 ALOX5 (0.44) ALOX5PARP14PRKDCPRSS12LIMK1

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