SCHEMBL3745904

SCHEMBL3745904

Nc1c(-c2nc3ccccc3[nH]2)cnc2ccc(Br)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.52
CDK1 P06493 2/20 0.49
CDK2 P24941 2/20 0.49
MKNK1 Q9BUB5 2/20 0.49
MKNK2 Q9HBH9 2/20 0.49
HPGD P15428 4/20 0.49
ALDH1A1 P00352 3/20 0.49
HSD17B10 Q99714 3/20 0.49
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
KDM4E B2RXH2 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MAPK1 P28482 1/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MEN1 O00255 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL3741834 0.90 PTGES (0.55) PDPK1CDK1CDK2MKNK1MKNK2
SCHEMBL3730737 0.88 PTGES (0.49) PDPK1CDK1CDK2MKNK1MKNK2
SCHEMBL3732791 0.85 CDK1 (0.52) PDPK1CDK1CDK2MKNK1MKNK2
SCHEMBL3731964 0.85 ADORA3 (0.53) PDPK1CDK1CDK2MKNK1MKNK2
SCHEMBL1054760 0.79 SLC2A1 (0.60) PDPK1CDK1CDK2MKNK1MKNK2
SCHEMBL3738781 0.78 SMN1; SMN2 (0.52) PDPK1CDK1CDK2MKNK1MKNK2
SCHEMBL3731117 0.78 RAB9A (0.62) HPGDALDH1A1HSD17B10MAPTSMN1; SMN2
SCHEMBL3727870 0.78 ADORA3 (0.50) PDPK1CDK1CDK2MKNK1MKNK2
SCHEMBL15396523 0.77 ALDH1A1 (0.67) PDPK1CDK1CDK2MKNK1MKNK2
SCHEMBL31658934 0.77 ALDH1A1 (0.67) PDPK1CDK1CDK2MKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825132-B2 Inhibition of FGFR3 and treatment of multiple myeloma NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-11-02 US disclosed
CN-1659165-A Quinolinone derivatives CHIRON CORP (US) 2005-08-24 CN disclosed
CN-1226283-A Recombinant enzyme with dextranase activity NOVO NORDISK AS (DK) 1999-08-18 CN disclosed