SCHEMBL29417473

SCHEMBL29417473

C#CCCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 1/20 0.59
▸ PI4K2B Q8TCG2 1/20 0.59
▸ PI4K2A Q9BTU6 1/20 0.59
▸ PI4KB Q9UBF8 1/20 0.59
▸ ADORA3 P0DMS8 5/20 0.58
▸ ADORA2A P29274 4/20 0.58
▸ ADORA2B P29275 4/20 0.58
▸ ADORA1 P30542 3/20 0.58
▸ HSP90B1 P14625 3/20 0.58
▸ HSP90AA1 P07900 2/20 0.58
▸ AHCY P23526 1/20 0.56
▸ TSHR P16473 3/20 0.55
▸ MAPK1 P28482 2/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ TMIGD3 P0DMS9 1/20 0.55
▸ RXFP1 Q9HBX9 1/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ KMT2A Q03164 1/20 0.55

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
SCHEMBL22342582 1.00 PI4KA (0.59) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL13901807 0.88 ADORA3 (0.71) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL13689761 0.88 ADORA3 (0.71) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL22354943 0.86 PI4KA (0.59) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL22354945 0.85 ADORA3 (0.60) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL22332144 0.85 ADORA3 (0.69) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL20925696 0.85 ADORA3 (0.69) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL20925712 0.85 ADORA3 (0.69) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL17297709 0.83 PI4KA (0.58) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL22354823 0.82 PI4KA (0.69) PI4KAPI4K2BPI4K2API4KBADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4211129-A1 THIOPHENOXIME AND FURANOXIME SCAFFOLDS Centre national de la recherche scientifique (FR) 2023-07-19 — — EP disclosed
WO-2022053628-A1 THIOPHENOXIME AND FURANOXIME SCAFFOLDS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2022-03-17 — — WO disclosed
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