SCHEMBL10266442

SCHEMBL10266442

CCC[C@H](CO)Nc1nc(N2CCC(c3ccc(N)cc3)CC2)nc2c1[S+]([O-])CC2

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 8/20 0.33
▸ TLR7 Q9NYK1 7/20 0.33
▸ KCNH2 Q12809 2/20 0.32
▸ LCK P06239 1/20 0.30
▸ JAK3 P52333 1/20 0.30
▸ BTK Q06187 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
SCHEMBL12921206 0.92 CRHR1 (0.32) TLR8TLR7KCNH2
SCHEMBL186581 0.92 CCR1 (0.35) —
SCHEMBL10268880 0.86 CRHR1 (0.32) —
SCHEMBL591223 0.79 TLR8 (0.32) TLR8TLR7
SCHEMBL4072273 0.79 CETP (0.37) TLR8TLR7
SCHEMBL12921203 0.79 ALDH1A1 (0.32) —
SCHEMBL9267989 0.79 TLR8 (0.35) TLR8TLR7KCNH2
SCHEMBL187793 0.78 CCR1 (0.34) KCNH2
SCHEMBL7708685 0.78 CCR1 (0.34) KCNH2
SCHEMBL12921221 0.78 KDM4E (0.36) —

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
EP-2215092-B1 SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2012-01-25 — — EP disclosed
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