SCHEMBL26104478

SCHEMBL26104478

Cc1ccncc1-c1nc(N)nc2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 13/20 0.70
▸ NUDT1 P36639 2/20 0.53
▸ CYP1A2 P05177 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ DHODH Q02127 1/20 0.46
▸ PDE10A Q9Y233 1/20 0.46
▸ DCPS Q96C86 1/20 0.45
▸ CYP11B1 P15538 1/20 0.45
▸ CYP11B2 P19099 1/20 0.45
▸ GBA1 P04062 1/20 0.44
▸ CYP17A1 P05093 1/20 0.44

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
SCHEMBL3042514 0.88 ADORA2A (0.70) ADORA2ANUDT1CYP1A2ALDH1A1HPGD
SCHEMBL27310325 0.83 ADORA2A (1.00) ADORA2ANUDT1CYP1A2ALDH1A1HPGD
SCHEMBL3035401 0.79 ADORA2A (0.56) ADORA2ANUDT1CYP1A2ALDH1A1HPGD
SCHEMBL3040419 0.79 ADORA2A (0.70) ADORA2ANUDT1CYP1A2ALDH1A1HPGD
SCHEMBL3029368 0.74 ADORA2A (0.79) ADORA2ANUDT1DCPS
SCHEMBL17959853 0.72 ADORA2A (0.69) ADORA2ANUDT1DHODH
SCHEMBL12743677 0.72 CSNK2A2 (0.69) ADORA2ACYP1A2ALDH1A1HSD17B10DHODH
SCHEMBL27400918 0.71 ADORA2A (0.71) ADORA2ANUDT1CYP1A2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL10584167 0.70 ADORA2A (0.69) ADORA2ANUDT1CYP1A2ALDH1A1HPGD
SCHEMBL421987 0.70 ADORA2A (1.00) ADORA2ANUDT1CYP1A2ALDH1A1HPGD

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-2023072026-A1 SARM1 MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-05-04 — — WO disclosed
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