SCHEMBL20092969

SCHEMBL20092969

CCCCc1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 1/20 0.35
PDE8B O95263 2/20 0.35
TLR7 Q9NYK1 6/20 0.33
CYP2C19 P33261 1/20 0.31
TLR8 Q9NR97 2/20 0.31
CYP1A2 P05177 1/20 0.30
TSHR P16473 1/20 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
SCHEMBL20091689 0.80 YTHDC1 (0.40) YTHDC1CYP2C19CYP1A2TSHR
SCHEMBL20092927 0.78 YTHDC1 (0.37) YTHDC1CYP2C19CYP1A2TSHR
SCHEMBL565852 0.78 PDE8B (0.44) PDE8BTLR7TLR8
SCHEMBL20091956 0.76 NPC1 (0.36) YTHDC1PDE8BCYP1A2TSHR
SCHEMBL30471120 0.76 NPC1 (0.36) YTHDC1PDE8BCYP1A2TSHR
SCHEMBL20092254 0.75 YTHDC1 (0.35) YTHDC1PDE8BCYP2C19CYP1A2TSHR
SCHEMBL20091846 0.75 YTHDC1 (0.35) YTHDC1CYP2C19CYP1A2TSHR
SCHEMBL2200949 0.75 PDE8B (0.41) PDE8BTLR7TLR8
SCHEMBL20155890 0.72 CD274 (0.30)
SCHEMBL20156146 0.71 TYK2 (0.30)

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-2018075937-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2018-04-26 WO disclosed