SCHEMBL11323124

SCHEMBL11323124

CCCCCc1cnc(N(C)C)nc1Cl

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 6/20 0.38
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ADK P55263 1/20 0.33
KCNH2 Q12809 1/20 0.33
HPGD P15428 2/20 0.32
ALDH1A1 P00352 2/20 0.32
S1PR1 P21453 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NPC1 O15118 1/20 0.31
STAT3 P40763 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL791580 0.80 KCNH2 (0.36) TLR8MAPTKDM4EKCNH2HPGD
SCHEMBL9284521 0.77 PKM (0.42) TLR8
SCHEMBL24954185 0.75 KCNH2 (0.37) TLR8MAPTKDM4EKCNH2HPGD
SCHEMBL27429022 0.70 MEN1 (0.39) MAPTKDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL12496377 0.68 LMNA (0.39) TLR8HPGDALDH1A1HSD17B10NPC1
SCHEMBL11019463 0.68 RAB9A (0.55) MAPTKDM4EKCNH2HPGDALDH1A1
SCHEMBL4262711 0.67 HPGD (0.43) MAPTKDM4EHPGDALDH1A1HSD17B10
Carbon Monoxide SCHEMBL6349233 0.67 TRPM8 (0.47) MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL5749103 0.67 KCNH2 (0.41) TLR8MAPTKCNH2
SCHEMBL30042167 0.67 TLR8 (0.46) TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4256738-A BACTERICIDES, PYRIMIDINYL, QUINAZOLINYL BOEHRINGER INGELHEIM GMBH (DE) 1981-03-17 US disclosed