SCHEMBL30005846

SCHEMBL30005846

CC1(C)OB(c2cc(F)cc3c2ccn3C2CC2)OC1(C)C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 1/20 0.33
▸ LIPG Q9Y5X9 1/20 0.33
▸ JAK2 O60674 1/20 0.32
▸ BTK Q06187 1/20 0.32
▸ SCD O00767 1/20 0.31
▸ HTR1A P08908 1/20 0.30
▸ HTR1D P28221 1/20 0.30
▸ HTR1B P28222 1/20 0.30
▸ HTR1F P30939 1/20 0.30
▸ TOP2A P11388 3/20 0.30
▸ TOP2B Q02880 3/20 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
SCHEMBL21624211 1.00 LPL (0.33) LPLLIPGJAK2BTKSCD
SCHEMBL21624315 0.80 JAK2 (0.33) LPLLIPGJAK2BTKSCD
SCHEMBL29968226 0.80 JAK2 (0.33) LPLLIPGJAK2BTKSCD
SCHEMBL21636302 0.80 LPL (0.37) LPLLIPGJAK2BTK
SCHEMBL21636512 0.79 LPL (0.31) LPLLIPGJAK2BTK
SCHEMBL21624158 0.78 PIK3C3 (0.38) LPLLIPGJAK2BTK
SCHEMBL21636300 0.76 JAK2 (0.31) JAK2BTK
SCHEMBL21624120 0.74 HTR2C (0.35) LPLLIPGJAK2BTK
SCHEMBL21624362 0.74 LPL (0.33) LPLLIPGJAK2BTK
SCHEMBL21624108 0.74 HTR6 (0.36) LPLLIPGJAK2BTK

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-4090660-A1 QUINOXALINE DERIVATIVES Grünenthal GmbH (DE) 2022-11-23 — — EP disclosed
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