SCHEMBL6004191

SCHEMBL6004191

Nc1cc2cccnc2nc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.41
CASP6 P55212 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
NPC1 O15118 2/20 0.40
DHFR P00374 1/20 0.40
PIK3CG P48736 1/20 0.40
KMT2A Q03164 3/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL3655163 0.81 DHODH (0.41) DHODHCDK5CDK5R1NPC1DHFR
SCHEMBL361776 0.81 AKT1 (0.49) DHODHNPC1KMT2ALMNAMEN1
SCHEMBL28261532 0.79 PDE10A (0.59) DHODHNPC1KMT2ALMNAKDM4E
SCHEMBL28185476 0.79 ALDH1A1 (0.45) DHODHCASP6NPC1KMT2ALMNA
SCHEMBL28533234 0.79 MAPK14 (0.45) DHODHNPC1KMT2ALMNAMEN1
SCHEMBL1692394 0.79 DHODH (0.44) DHODHNPC1KMT2ALMNAKDM4E
SCHEMBL9375622 0.76 PARP1 (0.46) DHODHKMT2ALMNAKDM4EALDH1A1
SCHEMBL9959092 0.76 DHODH (0.40) DHODHNPC1PIK3CGADORA2A
SCHEMBL31520474 0.76 FGFR1 (0.51) NPC1DHFRKMT2AMEN1ADORA2A
SCHEMBL28280374 0.76 FGFR1 (0.51) NPC1DHFRKMT2AMEN1ADORA2A

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
EP-1724268-A1 COMPOUND HAVING TGF-BETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION CONTAINING SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-22 EP disclosed