SCHEMBL192091

SCHEMBL192091

CCc1nc2c[n+]([O-])c3cccnc3c2n1CC(C)C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
TP53 P04637 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
RECQL P46063 1/20 0.31
GPR4 P46093 1/20 0.31
TLR7 Q9NYK1 2/20 0.30

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
SCHEMBL5124109 0.90 TP53 (0.32) TP53HTR2AHTR2CHTR2B
SCHEMBL191733 0.86 HTR2A (0.33) TSHRHTR2AHTR2CHTR2B
SCHEMBL4061433 0.81 ALDH1A1 (0.36) TSHRTP53
SCHEMBL4061438 0.81 ALDH1A1 (0.36) TSHRTP53
SCHEMBL843383 0.78 ALDH1A1 (0.32) TP53
SCHEMBL192522 0.77 TSHR (0.42) TSHRMAPK1TP53HTR2AHTR2C
SCHEMBL4056836 0.76 TLR7 (0.40) HTR2AHTR2CHTR2BTLR7
SCHEMBL2706466 0.73 HRH1 (0.32) TLR7
SCHEMBL10587340 0.73 TLR7 (0.43) TSHRMAPK1HTR2AHTR2BTLR7
SCHEMBL7231973 0.72 AVPR1A (0.40) TSHRTP53TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1833827-B9 PROCESS FOR PREPARING 2-METHYL-1-(2-METHYLPROPYL)-1H-IMIDAZO[4,5-C][1,5]NAPHTHYRIDIN-4-AMINE MEDA AB (SE) 2012-01-04 EP claimed
EP-1833827-B1 PROCESS FOR PREPARING 2-METHYL-1-(2-METHYLPROPYL)-1H-IMIDAZO[4,5-C][1,5]NAPHTHYRIDIN-4-AMINE MEDA AB (SE) 2011-05-25 EP claimed
EP-1833827-B9 PROCESS FOR PREPARING 2-METHYL-1-(2-METHYLPROPYL)-1H-IMIDAZO[4,5-C][1,5]NAPHTHYRIDIN-4-AMINE MEDA AB (SE) 2012-01-04 EP disclosed
EP-1833827-B1 PROCESS FOR PREPARING 2-METHYL-1-(2-METHYLPROPYL)-1H-IMIDAZO[4,5-C][1,5]NAPHTHYRIDIN-4-AMINE MEDA AB (SE) 2011-05-25 EP disclosed