SCHEMBL16229331

SCHEMBL16229331

CCCCc1c(Cl)nc(N)nc1I

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 14/20 0.41
TLR7 Q9NYK1 6/20 0.41
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TYMP P19971 1/20 0.35
NOS2 P35228 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HRH2 P25021 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL12496379 0.87 TLR8 (0.47) TLR8TLR7KDM4EHPGDSMN1; SMN2
SCHEMBL6416413 0.81 TLR8 (0.56) TLR8TLR7NPSR1
SCHEMBL28043913 0.81 TLR8 (0.44) TLR8TLR7KDM4EHPGDSMN1; SMN2
SCHEMBL3830025 0.81 TLR8 (0.49) TLR8TLR7KDM4EHPGDSMN1; SMN2
SCHEMBL12495463 0.79 TLR8 (0.47) TLR8TLR7KDM4EHPGDSMN1; SMN2
SCHEMBL6419045 0.75 TLR8 (0.55) TLR8TLR7NPSR1
SCHEMBL4986988 0.75 TLR8 (0.55) TLR8TLR7NPSR1
SCHEMBL12495467 0.74 KDM4E (0.43) TLR8TLR7KDM4EHPGDSMN1; SMN2
SCHEMBL6416401 0.73 DHFR (0.42) TLR8TLR7SMN1; SMN2NOS2
SCHEMBL12495995 0.72 HEXA (0.48) TLR8SMN1; SMN2HRH2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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