SCHEMBL23584692

SCHEMBL23584692

Nc1ncnc2c1ncn2C1CCC(CN2CCCC2)O1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 4/20 0.57
▸ PI4K2B Q8TCG2 4/20 0.57
▸ PI4K2A Q9BTU6 4/20 0.57
▸ PI4KB Q9UBF8 4/20 0.57
▸ MAPK1 P28482 2/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ NFKB1 P19838 2/20 0.57
▸ BLM P54132 2/20 0.57
▸ TP53 P04637 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ APEX1 P27695 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ ADCY1 Q08828 1/20 0.57
▸ ADORA2A P29274 4/20 0.53
▸ ADORA3 P0DMS8 2/20 0.53
▸ ADORA1 P30542 2/20 0.53
▸ ADORA2B P29275 1/20 0.53
▸ ADA P00813 1/20 0.52

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
SCHEMBL23584557 0.86 ALDH1A1 (0.43) PI4KAPI4K2BPI4K2API4KBMAPK1
SCHEMBL19941993 0.85 PI4KA (0.59) PI4KAPI4K2BPI4K2API4KBMAPK1
SCHEMBL20419221 0.84 ADA (0.65) PI4KAPI4K2BPI4K2API4KBMAPK1
SCHEMBL22460508 0.84 PI4KA (0.57) PI4KAPI4K2BPI4K2API4KBMAPK1
SCHEMBL8094890 0.84 ADA (0.65) PI4KAPI4K2BPI4K2API4KBMAPK1
SCHEMBL9197787 0.84 ADA (0.65) PI4KAPI4K2BPI4K2API4KBMAPK1
SCHEMBL24221343 0.84 PI4KA (0.57) PI4KAPI4K2BPI4K2API4KBMAPK1
SCHEMBL24909980 0.84 PI4KA (0.57) PI4KAPI4K2BPI4K2API4KBMAPK1
SCHEMBL20711187 0.84 PI4KA (0.57) PI4KAPI4K2BPI4K2API4KBMAPK1
SCHEMBL1374909 0.84 ADA (0.65) PI4KAPI4K2BPI4K2API4KBMAPK1

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
EP-3426664-B1 SUBSTITUTED NUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-06-30 — — EP disclosed
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