SCHEMBL3730737

SCHEMBL3730737

Nc1c(-c2nc3cc(Br)ccc3[nH]2)cnc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 11/20 0.49
PDPK1 O15530 2/20 0.46
HPGD P15428 3/20 0.46
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 2/20 0.46
RAB9A P51151 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPK1 P28482 1/20 0.46
CDK1 P06493 2/20 0.43
CDK2 P24941 2/20 0.43
MKNK1 Q9BUB5 2/20 0.43
MKNK2 Q9HBH9 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PLAUR Q03405 2/20 0.42
LMNA P02545 1/20 0.40

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) PTGESPDPK1HPGDKDM4ENPC1
SCHEMBL3745904 0.88 PDPK1 (0.52) PTGESPDPK1HPGDKDM4ENPC1
SCHEMBL1052466 0.82 NPBWR1 (0.44) PTGESPDPK1HPGDKDM4ENPC1
SCHEMBL1054128 0.82 HPGD (0.43) PDPK1HPGDKDM4ENPC1ALDH1A1
SCHEMBL3732815 0.81 NPC1 (0.53) PTGESPDPK1HPGDKDM4ENPC1
SCHEMBL3739404 0.81 ADORA3 (0.59) PDPK1HPGDKDM4ENPC1ALDH1A1
SCHEMBL3745620 0.78 PDGFRB (0.43) PDPK1HPGDKDM4ENPC1ALDH1A1
SCHEMBL6382926 0.78 HPGD (0.47) PTGESPDPK1HPGDKDM4ENPC1
SCHEMBL3731117 0.78 RAB9A (0.62) HPGDKDM4ENPC1ALDH1A1RAB9A
SCHEMBL17968230 0.77 SMN1; SMN2 (0.67) PTGESPDPK1HPGDKDM4ENPC1

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
US-7825132-B2 Inhibition of FGFR3 and treatment of multiple myeloma NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-11-02 US disclosed
CN-1483028-A Quinolinone derivatives as tyrosine kinase inhibitors ϣ 2004-03-17 CN disclosed