SCHEMBL7543009

SCHEMBL7543009

C1=C(c2c[nH]c3cccnc23)CCN2CCCC12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 1/20 0.50
MAPK14 Q16539 1/20 0.50
CDK7 P50613 1/20 0.39
CDK9 P50750 1/20 0.39
FLT3 P36888 4/20 0.34
SLC6A4 P31645 3/20 0.33
PRKD3 O94806 1/20 0.33
PRKD1 Q15139 1/20 0.33
PRKD2 Q9BZL6 1/20 0.33
GRM5 P41594 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNMA1 Q12791 2/20 0.32
HTR1A P08908 3/20 0.32
KDR P35968 1/20 0.32
GSK3B P49841 1/20 0.32
PARP1 P09874 1/20 0.31
PSMD14 O00487 1/20 0.31
HTR6 P50406 2/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL7546199 0.81 MAPK11 (0.50) MAPK11MAPK14CDK9FLT3SLC6A4
SCHEMBL7567570 0.76 MAPK11 (0.55) MAPK11MAPK14CDK7CDK9SLC6A4
SCHEMBL3216107 0.75 CDK9 (0.39) CDK7CDK9SLC6A4PARP1
SCHEMBL2064461 0.75 CDK7 (0.39) CDK7CDK9FLT3SLC6A4PRKD3
SCHEMBL3206033 0.75 CDK9 (0.39) CDK7CDK9FLT3SLC6A4KDM4E
SCHEMBL5850081 0.70 MAPK11 (0.81) MAPK11MAPK14GSK3BPARP1
SCHEMBL3627711 0.70 SLC6A4 (0.64) SLC6A4HTR1AHTR6KDM4ELMNA
SCHEMBL7001878 0.69 MAPK11 (0.48) MAPK11MAPK14SLC6A4
SCHEMBL3206667 0.69 JAK2 (0.48) CDK7CDK9FLT3HTR1AKDR
SCHEMBL7855936 0.68 MAPK11 (0.41) MAPK11MAPK14SLC6A4

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
EP-1204662-A1 AZAINDOLES HAVING SEROTONIN RECEPTOR AFFINITY NPS Allelix Corp. (CA) 2002-05-15 EP disclosed
WO-2001012629-A1 AZAINDOLES HAVING SEROTONIN RECEPTOR AFFINITY NPS ALLELIX CORP. (US) 2001-02-22 WO disclosed