SCHEMBL24736754

SCHEMBL24736754

Nc1ncnn2c(C(=O)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@](O)(COCc3ccccc3)OCc3ccccc3)ccc12

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 6/20 0.34
SLC1A3 P43003 2/20 0.33
SLC1A2 P43004 2/20 0.33
SLC1A1 P43005 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 1/20 0.32
AGER Q15109 1/20 0.32
NTRK1 P04629 1/20 0.32
NTRK2 Q16620 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
POLRMT O00411 1/20 0.31
TNK2 Q07912 1/20 0.30

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
SCHEMBL25852329 0.91 SLC1A3 (0.35) RIPK1SLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL24736807 0.83 RIPK1 (0.34) RIPK1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL25853553 0.82
SCHEMBL24736771 0.81 RIPK1 (0.34) RIPK1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL24736759 0.81 RIPK1 (0.34) RIPK1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL22142945 0.78 RIPK1 (0.35) RIPK1SLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL23278543 0.77 SLC1A3 (0.36) RIPK1SLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL17719388 0.76 RIPK1 (0.36) RIPK1SLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL17719365 0.76 RIPK1 (0.36) RIPK1SLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL24736762 0.75 RIPK1 (0.34) RIPK1NTRK1NTRK2KDM4EPOLB

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-2022221514-A1 METHODS OF PREPARING CARBANUCLEOSIDES USING AMIDES GILEAD SCIENCES, INC. (US) 2022-10-20 WO disclosed