SCHEMBL27409359

SCHEMBL27409359

CCC1=CNc2nc(N)[nH]c(=O)c2CC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 7/20 0.39
▸ NOS1 P29475 5/20 0.34
▸ NOS3 P29474 1/20 0.34
▸ NOS2 P35228 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ CDK5R1 Q15078 1/20 0.33

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
SCHEMBL15757443 0.65 UHRF1 (0.42) TYMSNOS1NOS3NOS2CYP1A2
SCHEMBL20711061 0.59 TYMS (0.40) TYMSNOS1NOS3NOS2
SCHEMBL12242246 0.58 — —
SCHEMBL3454196 0.58 NOS1 (0.41) NOS1NOS3NOS2
SCHEMBL10568181 0.58 HPGD (0.53) TYMS
SCHEMBL12959072 0.57 XDH (0.45) TYMSCYP1A2
SCHEMBL3800890 0.57 NOS1 (0.38) TYMSNOS1NOS3NOS2
SCHEMBL19493168 0.57 NPSR1 (0.45) TYMSCYP1A2CDK5CDK5R1
SCHEMBL9166765 0.57 TYMS (0.61) TYMS
SCHEMBL12710033 0.56 PARP1 (0.50) TYMSCYP1A2

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
WO-2024119117-A1 MODIFIED 5' CAP FOR MRNA AND METHODS OF USE THEREOF PRIME MEDICINE, INC. (US) 2024-06-06 — — WO disclosed
Send feedback