SCHEMBL30520106

SCHEMBL30520106

N#Cc1cccc(-c2nc(N)sc2-c2ccc3ncncc3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.46
ADORA2A P29274 3/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
ADORA1 P30542 1/20 0.40
PIK3CD O00329 2/20 0.40
PIK3CA P42336 2/20 0.40
CYP1A2 P05177 4/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2D6 P10635 3/20 0.40
CYP2C19 P33261 3/20 0.40
TGFBR1 P36897 2/20 0.40
MAPK14 Q16539 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL25365761 1.00 MAP4K4 (0.46) MAP4K4ADORA2AALDH1A1MAPTMEN1
SCHEMBL26042889 0.84 ALDH1A1 (0.45) MAP4K4ADORA2AALDH1A1MAPTMEN1
SCHEMBL30519914 0.81 MAP4K4 (0.56) MAP4K4ADORA2AALDH1A1MAPTMEN1
SCHEMBL25366229 0.81 MAP4K4 (0.56) MAP4K4ADORA2AALDH1A1MAPTMEN1
SCHEMBL25366781 0.79 MAP4K4 (0.53) MAP4K4ADORA2AALDH1A1MAPTMEN1
SCHEMBL30520132 0.79 MAP4K4 (0.53) MAP4K4ADORA2AALDH1A1MAPTMEN1
SCHEMBL30520034 0.79 MAP4K4 (0.53) MAP4K4ADORA2AALDH1A1MAPTMEN1
SCHEMBL25369200 0.79 MAP4K4 (0.53) MAP4K4ADORA2AALDH1A1MAPTMEN1
SCHEMBL25366177 0.79 DYRK1A (0.43) MAP4K4ADORA2AALDH1A1MAPTMEN1
SCHEMBL30520086 0.79 DYRK1A (0.43) MAP4K4ADORA2AALDH1A1MAPTMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119137118-A Antagonists of adenosine receptors 阿道尔克斯治疗有限公司 2024-12-13 CN disclosed
EP-4469452-A1 ANTAGONIST OF ADENOSINE RECEPTORS Adorx therapeutics Limited (GB) 2024-12-04 EP disclosed
WO-2023144559-A1 ANTAGONIST OF ADENOSINE RECEPTORS AdoRx Therapeutics Limited (GB) 2023-08-03 WO disclosed