SCHEMBL24196378

SCHEMBL24196378

CNc1ncnc2c1ncn2C1CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 2/20 1.00
ADORA2A P29274 6/20 0.59
ADORA3 P0DMS8 11/20 0.58
ADORA1 P30542 6/20 0.58
PI4KA P42356 3/20 0.53
PI4K2B Q8TCG2 3/20 0.53
PI4K2A Q9BTU6 3/20 0.53
PI4KB Q9UBF8 3/20 0.53
ADORA2B P29275 2/20 0.53
AHCY P23526 1/20 0.51

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
SCHEMBL24708227 0.94 YTHDC1 (0.88) YTHDC1ADORA2AADORA3ADORA1PI4KA
SCHEMBL26255189 0.80 YTHDC1 (0.66) YTHDC1ADORA2AADORA3ADORA1PI4KA
SCHEMBL24197135 0.79 YTHDC1 (0.64) YTHDC1ADORA2AADORA3ADORA1PI4KA
SCHEMBL12143425 0.78 ADORA2A (0.65) YTHDC1ADORA2AADORA3ADORA1PI4KA
SCHEMBL26255179 0.78 YTHDC1 (0.63) YTHDC1ADORA2AADORA3ADORA1PI4KA
SCHEMBL30679403 0.78 YTHDC1 (0.69) YTHDC1ADORA3ADORA1PI4KAPI4K2B
SCHEMBL20322942 0.78 YTHDC1 (0.69) YTHDC1ADORA3ADORA1PI4KAPI4K2B
SCHEMBL9685322 0.77 YTHDC1 (0.60) YTHDC1ADORA3ADORA1
SCHEMBL26255190 0.77 YTHDC1 (0.62) YTHDC1ADORA2AADORA3ADORA1PI4KA
SCHEMBL26255182 0.76 YTHDC1 (0.60) YTHDC1ADORA2AADORA3ADORA1PI4KA

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-2022011171-A1 NOVEL COMPOUNDS AND METHODS FOR INCREASING KLOTHO GENE EXPRESSION KLOTHO THERAPEUTICS, INC. (US) 2022-01-13 WO disclosed