SCHEMBL17801094

SCHEMBL17801094

CN(C)Cc1nnc(-c2ccc3c(c2)c(Br)nn3C2CCCCO2)o1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
RAB9A P51151 3/20 0.33
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 2/20 0.32
MAPT P10636 3/20 0.32
TSHR P16473 2/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 2/20 0.32
ALDH1A1 P00352 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 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
SCHEMBL17801073 0.85 TLR8 (0.35) TLR8TLR7RXRARXRBRXRG
SCHEMBL17801038 0.84 CMKLR1 (0.35) PLK1TLR9TLR8TLR7RXRA
SCHEMBL17801066 0.75 HCRTR1 (0.40) RXRARXRBRXRG
SCHEMBL30950223 0.74 CYP4F2 (0.39) RXRARXRBRXRGRAB9AKMT2A
SCHEMBL30182911 0.74 MAPT (0.38) RXRARXRBRXRGRAB9AKMT2A
SCHEMBL17801065 0.73 ALDH1A1 (0.46) TLR8TLR7KMT2AMEN1MAPT
SCHEMBL9904375 0.73 CYP4F2 (0.38) RXRARXRBRXRGMAPTALDH1A1
SCHEMBL5377785 0.73 ATM (0.36) RXRARXRBRXRGMAPTALDH1A1
SCHEMBL22160453 0.72 CYP4F2 (0.39) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL20030949 0.72 RXRA (0.36) RXRARXRBRXRGKMT2AMEN1

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
WO-2016089977-A1 SUBSTITUTED INDAZOLE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH CELGENE CORPORATION (US) 2016-06-09 WO disclosed