SCHEMBL5336423

SCHEMBL5336423

CCS(=O)(=O)O.[AsH2]c1nc2cccnc2c2[nH]cnc12

nearest known ligand 0.35

Known targets — ChEMBL curated mechanism

FGFR1FGFR2FGFR3FGFR4FLT1FLT4KDRPDGFRAPDGFRB

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
ALOX12 P18054 1/20 0.35
MAPT P10636 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
COMT P21964 1/20 0.35
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
CDK9 P50750 1/20 0.33
DYRK1A Q13627 1/20 0.33
DYRK1B Q9Y463 1/20 0.33

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
SCHEMBL5264585 0.85 PRMT5 (0.38) KDM4EALOX12MAPTTDP1ALDH1A1
Water SCHEMBL5259730 0.84 PRMT5 (0.37) KDM4EALOX12MAPTTDP1ALDH1A1
SCHEMBL5505830 0.78 PRMT5 (0.38) KDM4EALOX12MAPTTDP1ALDH1A1
SCHEMBL5350911 0.76 HTT (0.36) KDM4EALOX12MAPTTDP1ALDH1A1
SCHEMBL311313 0.73 MMP2 (0.38) KDM4EALOX12MAPTTDP1ALDH1A1
SCHEMBL5516518 0.70 TP53 (0.36) KDM4EALDH1A1NPSR1PRMT5TLR8
SCHEMBL311681 0.70 PRMT5 (0.42) KDM4EMAPTTDP1ALDH1A1LMNA
SCHEMBL30413516 0.70 PRMT5 (0.42) KDM4EMAPTTDP1ALDH1A1LMNA
SCHEMBL5375816 0.69 TLR7 (0.44) KDM4EALDH1A1LMNASMN1; SMN2NPSR1
Water SCHEMBL5343392 0.69 TLR7 (0.43) KDM4EALDH1A1LMNASMN1; SMN2NPSR1

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-1833833-A2 POLYMORPHS OF 1-(2-METHYLPROPYL)-1H-IMIDAZO 4,5-C 1,5 NAPHTHYRIDIN-4-AMINE ETHANESULFONATE Takeda Pharmaceutical Company Limited (JP) 2007-09-19 EP disclosed
WO-2006071862-A2 POLYMORPHS OF 1-(2-METHYLPROPYL)-1H-IMIDAZO[4,5-C][1,5]NAPHTHYRIDIN-4-AMINE ETHANESULFONATE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-06 WO disclosed