SCHEMBL21313266

SCHEMBL21313266

CCCCc1c(-c2ccsc2)nc(N)nc1-c1cc2ccccc2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.40
▸ ADORA1 P30542 2/20 0.40
▸ APP P05067 2/20 0.39
▸ FYN P06241 1/20 0.36
▸ TLR8 Q9NR97 4/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ PIK3CB P42338 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ PRKDC P78527 1/20 0.36
▸ DRD2 P14416 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ NPY5R Q15761 1/20 0.35
▸ CHRNA7 P36544 1/20 0.35
▸ IKBKB O14920 1/20 0.34
▸ PLAU P00749 1/20 0.34
▸ NOS2 P35228 1/20 0.33
▸ PGK1 P00558 1/20 0.33

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
SCHEMBL21313198 0.90 APP (0.43) ADORA2AADORA1APPFYNTLR8
SCHEMBL21313148 0.88 TLR8 (0.46) ADORA2AAPPFYNTLR8PIK3CD
SCHEMBL16223004 0.87 APP (0.40) ADORA2AADORA1APPFYNTLR8
SCHEMBL16223129 0.84 ADK (0.44) ADORA2AADORA1APPPIK3CDPIK3CA
SCHEMBL21313188 0.83 ADORA2A (0.42) ADORA2AADORA1APPFYNTLR8
SCHEMBL16223017 0.83 ADORA2A (0.47) ADORA2AADORA1TLR8DRD2HTR6
SCHEMBL16223135 0.82 ADORA2A (0.58) ADORA2AADORA1TLR8DRD2HTR6
SCHEMBL21313150 0.82 ADORA2A (0.44) ADORA2AADORA1APPFYNPIK3CD
SCHEMBL16223085 0.82 JAK2 (0.39) ADORA2AADORA1APPFYNTLR8
SCHEMBL16223126 0.82 ADORA2A (0.40) ADORA2AADORA1APPFYNTLR8

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-3195867-B1 PYRIMIDINE COMPOUNDS INHIBITING THE FORMATION OF NITRIC OXIDE AND PROSTAGLANDIN E2, METHOD OF PRODUCTION THEREOF AND USE THEREOF USTAV ORGANICKE CHEMIE A BIOCHEMIE AKADEMIE VED CR V V I (CZ) 2019-09-04 — — EP claimed
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