SCHEMBL21029537

SCHEMBL21029537

CCCc1nc(N)c2ncn([C@H]3CCCO3)c2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.60
ALDH1A1 P00352 2/20 0.60
KMT2A Q03164 2/20 0.60
TP53 P04637 1/20 0.60
CYP2C9 P11712 1/20 0.60
NFKB1 P19838 1/20 0.60
MAPK1 P28482 1/20 0.60
HSD17B10 Q99714 1/20 0.60
APEX1 P27695 1/20 0.60
PI4KA P42356 1/20 0.60
BLM P54132 1/20 0.60
ADCY1 Q08828 1/20 0.60
PI4K2B Q8TCG2 1/20 0.60
PI4K2A Q9BTU6 1/20 0.60
PI4KB Q9UBF8 1/20 0.60
ADORA2A P29274 1/20 0.52
PDE8B O95263 2/20 0.50
CYP2C19 P33261 1/20 0.48
YTHDC1 Q96MU7 1/20 0.47
KDM4E B2RXH2 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
SCHEMBL4145031 0.81 TP53 (0.55) MEN1ALDH1A1KMT2ATP53CYP2C9
SCHEMBL4148488 0.80 TP53 (0.66) MEN1ALDH1A1KMT2ATP53CYP2C9
SCHEMBL4164718 0.80 MEN1 (0.66) MEN1ALDH1A1KMT2ATP53CYP2C9
SCHEMBL11457829 0.80 ADORA2A (0.54) MEN1ALDH1A1KMT2ATP53CYP2C9
SCHEMBL22082420 0.80 MEN1 (0.62) MEN1ALDH1A1KMT2ATP53CYP2C9
SCHEMBL460736 0.79 TP53 (0.55) MEN1ALDH1A1KMT2ATP53CYP2C9
SCHEMBL10121595 0.79 PI4KA (0.61) MEN1ALDH1A1KMT2ATP53CYP2C9
SCHEMBL3913663 0.79 PDE8B (0.57) MEN1ALDH1A1KMT2ATP53CYP2C9
SCHEMBL29809280 0.79 ADORA2A (0.55) MEN1ALDH1A1KMT2ATP53CYP2C9
SCHEMBL567355 0.79 ADORA2A (0.55) MEN1ALDH1A1KMT2ATP53CYP2C9

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-2971033-B1 MANUFACTURING METHODS FOR PRODUCTION OF RNA TRANSCRIPTS MODERNA THERAPEUTICS INC (US) 2019-05-29 EP disclosed