SCHEMBL10650083

SCHEMBL10650083

Nc1ncnc2c1ncn2C1(C(O)(O)F)CCCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 11/20 0.59
PI4K2B Q8TCG2 11/20 0.59
PI4K2A Q9BTU6 11/20 0.59
PI4KB Q9UBF8 11/20 0.59
ADORA2A P29274 9/20 0.44
ADORA3 P0DMS8 3/20 0.44
SLC28A1 O00337 1/20 0.44
ADORA1 P30542 6/20 0.43
ADORA2B P29275 2/20 0.43
NFKB1 P19838 2/20 0.41
BLM P54132 2/20 0.41
TP53 P04637 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
APEX1 P27695 1/20 0.41
KMT2A Q03164 1/20 0.41
ADCY1 Q08828 1/20 0.41

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
SCHEMBL10647216 0.83 CDK1 (0.43) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL27438888 0.79 PI4KA (0.67) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL9397052 0.73 PI4K2A (0.59) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL7738504 0.72 PI4KA (0.66) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL9687602 0.69 PI4KA (0.54) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL9687595 0.69 PI4KA (0.54) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL10647704 0.69 PI4K2A (0.51) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL10521569 0.69 PI4K2A (0.50) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL6650344 0.68 ADORA2A (0.46) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL23969763 0.68 PI4K2A (0.56) PI4KAPI4K2BPI4K2API4KBADORA2A

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-0277599-A2 Fluorine containing cyclopentane derivatives and processes for their production ASAHI GLASS COMPANY LTD. (JP) 1988-08-10 EP disclosed