SCHEMBL5791298

SCHEMBL5791298

CCCCCCNc1cc(C)nc(N)n1

nearest known ligand 0.88

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 6/20 0.88
DNM2 P50570 9/20 0.58
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TLR7 Q9NYK1 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
GAA P10253 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL2849398 0.98 TLR8 (0.90) TLR8DNM2ALDH1A1LMNATP53
SCHEMBL20434306 0.93 TLR8 (1.00) TLR8DNM2ALDH1A1LMNATP53
SCHEMBL8585646 0.86 TLR8 (0.81) TLR8DNM2ALDH1A1LMNATP53
SCHEMBL29156884 0.85 TLR8 (0.64) TLR8DNM2TLR7CYP2D6
SCHEMBL30263108 0.85 TLR8 (0.64) TLR8DNM2TLR7CYP2D6
SCHEMBL29442374 0.85 TLR8 (0.78) TLR8ALDH1A1LMNATP53TSHR
SCHEMBL26345520 0.85 TLR8 (0.78) TLR8ALDH1A1LMNATP53TSHR
SCHEMBL13309816 0.83 TLR8 (0.61) TLR8DNM2ALDH1A1LMNATP53
SCHEMBL13309860 0.83 TLR8 (0.61) TLR8DNM2ALDH1A1LMNATP53
SCHEMBL13309832 0.83 TLR8 (0.61) TLR8DNM2ALDH1A1LMNATP53

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
WO-2006016014-A1 NOVEL COMPOUNDS OF A 6-METHYL-PYRIMIDINE-2,4-DIAMINE FAMILY, METHOD FOR SYNTHESISING, COMPOSITIONS CONTAINING SAID COMPOUNDS AND THE USE THEREOF L'OREAL (FR) 2006-02-16 WO claimed
EP-1437348-A1 6-methyl-2,4-diamino-pyrimidine derivatives, process for preparation, compositions containing them and their uses as basic neutralising agents L'OREAL (FR) 2004-07-14 EP claimed
WO-2006016014-A1 NOVEL COMPOUNDS OF A 6-METHYL-PYRIMIDINE-2,4-DIAMINE FAMILY, METHOD FOR SYNTHESISING, COMPOSITIONS CONTAINING SAID COMPOUNDS AND THE USE THEREOF L'OREAL (FR) 2006-02-16 WO disclosed
EP-1437348-A1 6-methyl-2,4-diamino-pyrimidine derivatives, process for preparation, compositions containing them and their uses as basic neutralising agents L'OREAL (FR) 2004-07-14 EP disclosed