SCHEMBL5516518

SCHEMBL5516518

CC(C)Cc1nc2cccnc2c2[nH]cnc12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
TLR8 Q9NR97 3/20 0.35
TLR7 Q9NYK1 2/20 0.35
PRMT5 O14744 1/20 0.35
HPGD P15428 3/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTR3A P46098 1/20 0.34
POLB P06746 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
GRM4 Q14833 1/20 0.33
BRD4 O60885 1/20 0.33
ELANE P08246 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32

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
SCHEMBL5032885 0.83 ELANE (0.43) TLR8TLR7POLBELANE
SCHEMBL191231 0.75 PRMT5 (0.44) TP53TLR8TLR7PRMT5HPGD
SCHEMBL30413516 0.74 PRMT5 (0.42) TP53TLR8TLR7PRMT5HPGD
SCHEMBL311681 0.74 PRMT5 (0.42) TP53TLR8TLR7PRMT5HPGD
SCHEMBL311313 0.74 MMP2 (0.38) TP53PRMT5KDM4EALDH1A1POLB
SCHEMBL6221678 0.73 DPP4 (0.40) HPGDKDM4EALDH1A1NPSR1POLB
SCHEMBL5350911 0.71 HTT (0.36) PRMT5KDM4EALDH1A1NPSR1BRD4
SCHEMBL5336423 0.70 KDM4E (0.35) TLR8TLR7PRMT5KDM4EALDH1A1
SCHEMBL5264585 0.70 PRMT5 (0.38) TLR8TLR7PRMT5KDM4EALDH1A1
Water SCHEMBL5259730 0.69 PRMT5 (0.37) TLR8TLR7PRMT5KDM4EALDH1A1

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-1845980-A2 AQUEOUS GEL FORMULATIONS CONTAINING 1-(2-METHYLPROPYL)-1H-IMIDAZO[4,5-C][1,5]NAPHTHYRIDIN-4-AMINE Takeda Pharmaceutical Company Limited (JP) 2007-10-24 EP disclosed
WO-2006084073-A2 AQUEOUS GEL FORMULATIONS CONTAINING 1-(2-METHYLPROPYL)-1H-IMIDAZO[4,5-C][1,5]NAPHTHYRIDIN-4-AMINE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-08-10 WO disclosed