SCHEMBL29242837

SCHEMBL29242837

CNc1ncnc2c1ncn2-n1cnc2c(N)ncnc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ YTHDC1 Q96MU7 2/20 0.58
▸ ADORA2A P29274 9/20 0.53
▸ ADORA1 P30542 8/20 0.53
▸ PI4KA P42356 6/20 0.49
▸ PI4K2B Q8TCG2 6/20 0.49
▸ PI4K2A Q9BTU6 6/20 0.49
▸ PI4KB Q9UBF8 6/20 0.49
▸ ADORA2B P29275 3/20 0.49
▸ ADORA3 P0DMS8 2/20 0.43
▸ EGFR P00533 1/20 0.43
▸ PDE5A O76074 1/20 0.43
▸ PDE4A P27815 1/20 0.43
▸ PDE1A P54750 1/20 0.43
▸ PDE1B Q01064 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ PDE4C Q08493 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ PDE3B Q13370 1/20 0.43
▸ PDE1C Q14123 1/20 0.43
▸ PDE3A Q14432 1/20 0.43

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
SCHEMBL580610 0.84 ADORA2A (0.64) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL28413958 0.82 ADORA2A (0.62) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL28410735 0.81 ADORA2A (0.60) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL28998309 0.79 YTHDC1 (0.46) YTHDC1ADORA2AADORA1ADORA2BADORA3
Hydrochloric Acid SCHEMBL9195525 0.76 YTHDC1 (0.57) YTHDC1ADORA2AADORA1ADORA2BADORA3
SCHEMBL23771392 0.76 YTHDC1 (0.66) YTHDC1ADORA2AADORA1ADORA2BADORA3
SCHEMBL763699 0.74 YTHDC1 (1.00) YTHDC1ADORA2AADORA1ADORA3PDE5A
SCHEMBL28061333 0.74 YTHDC1 (0.50) YTHDC1ADORA2AADORA1ADORA2BPDE5A
SCHEMBL22399501 0.73 YTHDC1 (0.62) YTHDC1ADORA2AADORA1ADORA2BADORA3
SCHEMBL9120 0.73 ADORA2A (0.59) ADORA2AADORA1PI4KAPI4K2BPI4K2A

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
CN-117778429-A MMP20 gene mutant and application thereof 华中科技大学同济医学院附属协和医院 2024-03-29 — — CN disclosed
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