SCHEMBL8547469

SCHEMBL8547469

FC(F)(F)c1ccc2nccc(Br)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.48
CDK8 P49336 1/20 0.48
RIPK2 O43353 3/20 0.47
KDR P35968 2/20 0.47
MAPK14 Q16539 1/20 0.47
GAK O14976 3/20 0.46
NLK Q9UBE8 2/20 0.46
EPHB6 O15197 1/20 0.46
ABL1 P00519 1/20 0.46
LCK P06239 1/20 0.46
EPHA1 P21709 1/20 0.46
EPHA8 P29322 1/20 0.46
TXK P42681 1/20 0.46
COQ8A Q8NI60 1/20 0.46
SLC22A12 Q96S37 2/20 0.45
AAK1 Q2M2I8 2/20 0.45
STK16 O75716 1/20 0.45
EGFR P00533 1/20 0.45
BMP2K Q9NSY1 1/20 0.45
IRAK3 Q9Y616 1/20 0.45

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
SCHEMBL31510479 1.00 CCNC (0.48) CCNCCDK8RIPK2KDRMAPK14
SCHEMBL31312344 0.86 ADRB2 (0.51) CCNCCDK8RIPK2KDRMAPK14
SCHEMBL9829215 0.86 ADRB2 (0.51) CCNCCDK8RIPK2KDRMAPK14
SCHEMBL26029318 0.82 RIPK2 (0.47) RIPK2KDRMAPK14GAKNLK
SCHEMBL16248020 0.80 CCNC (0.49) CCNCCDK8RIPK2KDRMAPK14
SCHEMBL317086 0.79 CCNC (0.48) CCNCCDK8RIPK2KDRMAPK14
SCHEMBL16289500 0.79 CCNC (0.48) CCNCCDK8RIPK2KDRMAPK14
SCHEMBL422643 0.79 SMN1; SMN2 (0.59) CCNCCDK8RIPK2KDRMAPK14
SCHEMBL30050271 0.79 CCNC (0.48) CCNCCDK8RIPK2KDRMAPK14
SCHEMBL4421437 0.79 RIPK2 (0.53) CCNCCDK8RIPK2KDRMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0696291-B1 PYRIDO(1,2,3-DE)QUINOXALINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND THEIR USE IN MEDICAMENTS SCHERING AG (DE) 1998-08-19 EP disclosed
US-5750526-A Pyrido 1,2,3-DE!quinoxaline derivatives, process for their production and their use in pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1998-05-12 US disclosed
CN-1121720-A Pyrido(1,2,3-de)quinoxaline derivatives, process for preparing the same and their use in medicaments SCHERING AG (DE) 1996-05-01 CN disclosed
EP-0696291-A1 PYRIDO(1,2,3-DE)QUINOXALINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND THEIR USE IN MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1996-02-14 EP disclosed
WO-1994025472-A1 PYRIDO(1,2,3-DE)QUINOXALINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND THEIR USE IN MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1994-11-10 WO disclosed