SCHEMBL12495463

SCHEMBL12495463

CCCCCCc1c(Cl)nc(N)nc1Cl

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 8/20 0.47
TLR7 Q9NYK1 4/20 0.47
TYMP P19971 3/20 0.43
DHFR P00374 1/20 0.41
MAPT P10636 2/20 0.40
ATM Q13315 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KCNH2 Q12809 1/20 0.38

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
SCHEMBL3830025 0.98 TLR8 (0.49) TLR8TLR7TYMPDHFRMAPT
SCHEMBL12496379 0.92 TLR8 (0.47) TLR8TLR7TYMPKDM4EHPGD
SCHEMBL6419045 0.91 TLR8 (0.55) TLR8TLR7MAPTATML3MBTL1
SCHEMBL4986988 0.91 TLR8 (0.55) TLR8TLR7MAPTATML3MBTL1
SCHEMBL24113990 0.83 KMT2A (0.43) TLR8TLR7TYMPLMNAHPGD
SCHEMBL12495467 0.83 KDM4E (0.43) TLR8TLR7TYMPDHFRGAA
SCHEMBL6416413 0.82 TLR8 (0.56) TLR8TLR7
SCHEMBL28043913 0.82 TLR8 (0.44) TLR8TLR7TYMPDHFRMAPT
SCHEMBL16229331 0.79 TLR8 (0.41) TLR8TLR7TYMPKDM4EHPGD
SCHEMBL468531 0.79 CYP2D6 (0.53) TLR8TLR7DHFRMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2680847-A1 PYRIMIDINE COMPOUNDS INHIBITING THE FORMATION OF NITRIC OXIDE AND PROSTAGLANDIN E2, METHOD OF PRODUCTION THEREOF AND USE THEREOF Ustav Organicke Chemie A Biochemie Akademie Ved Cr, v.v.i. (CZ) 2014-01-08 EP claimed
WO-2012116666-A1 PYRIMIDINE COMPOUNDS INHIBITING THE FORMATION OF NITRIC OXIDE AND PROSTAGLANDIN E2, METHOD OF PRODUCTION THEREOF AND USE THEREOF USTAV ORGANICKE CHEMIE A BIOCHEMIE AKADEMIE VED CR, v.v.i. (CZ) 2012-09-07 WO claimed
EP-3195867-A1 PYRIMIDINE COMPOUNDS INHIBITING THE FORMATION OF NITRIC OXIDE AND PROSTAGLANDIN E2, METHOD OF PRODUCTION THEREOF AND USE THEREOF Ustav Organicke Chemie A Biochemie Akademie Ved Cr, v.v.i. (CZ) 2017-07-26 EP disclosed
US-8883798-B2 Pyrimidine compounds inhibiting the formation of nitric oxide and prostaglandin E2, method of production thereof and use thereof USTAV ORGANICKE CHEMIE A BIOCHEMIE AKADEMIE VED CR, v.v.i. (CZ) 2014-11-11 US disclosed
US-8883798-B2 Pyrimidine compounds inhibiting the formation of nitric oxide and prostaglandin E2, method of production thereof and use thereof USTAV ORGANICKE CHEMIE A BIOCHEMIE AKADEMIE VED CR, v.v.i. (CZ) 2014-11-11 US disclosed