SCHEMBL18535300

SCHEMBL18535300

CC1(C)OC2[C@@H](CO)O[C@@H](n3cc(F)c4c(Cl)ncnc43)[C@H]2O1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 1/20 0.55
▸ PI4K2B Q8TCG2 1/20 0.55
▸ PI4K2A Q9BTU6 1/20 0.55
▸ PI4KB Q9UBF8 1/20 0.55
▸ ADK P55263 6/20 0.50
▸ SLC29A1 Q99808 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL18009754 1.00 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBADK
SCHEMBL18026249 0.91 PI4KA (0.44) PI4KAPI4K2BPI4K2API4KBADK
SCHEMBL18009847 0.88 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KBADK
SCHEMBL18572215 0.88 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KBADK
SCHEMBL31526134 0.88 PI4KA (0.66) PI4KAPI4K2BPI4K2API4KBADK
SCHEMBL16120836 0.88 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBADK
SCHEMBL90990 0.88 ADK (0.67) PI4KAPI4K2BPI4K2API4KBADK
SCHEMBL67029 0.88 ADK (0.67) PI4KAPI4K2BPI4K2API4KBADK
SCHEMBL29772297 0.88 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBADK
SCHEMBL60684 0.88 ADK (0.67) PI4KAPI4K2BPI4K2API4KBADK

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-3133080-A1 NOVEL CYTOSTATIC 7-DEAZAPURINE NUCLEOSIDES INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 2017-02-22 — — EP disclosed
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