SCHEMBL24736772

SCHEMBL24736772

Nc1ncnn2c(C(=O)CCC(O)(COCc3ccccc3)COCc3ccccc3)ccc12

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 7/20 0.35
KDM4E B2RXH2 2/20 0.34
POLB P06746 1/20 0.34
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
ADORA2A P29274 2/20 0.33
MAPT P10636 1/20 0.33
MAOB P27338 1/20 0.33
NTRK1 P04629 1/20 0.32
NTRK2 Q16620 1/20 0.32
RET P07949 1/20 0.32
TNK2 Q07912 2/20 0.31
EGLN1 Q9GZT9 1/20 0.31

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
SCHEMBL24736762 0.89 RIPK1 (0.34) RIPK1KDM4EPOLBNTRK1NTRK2
SCHEMBL24736761 0.89 RIPK1 (0.34) RIPK1KDM4EPOLBNTRK1NTRK2
SCHEMBL23822963 0.80 CYP2D6 (0.40) RIPK1
SCHEMBL24736807 0.78 RIPK1 (0.34) RIPK1KDM4EPOLBNTRK1NTRK2
SCHEMBL25852329 0.77 SLC1A3 (0.35) RIPK1KDM4EPOLBNTRK1NTRK2
SCHEMBL24736771 0.74 RIPK1 (0.34) RIPK1KDM4EPOLBNTRK1NTRK2
SCHEMBL24736759 0.74 RIPK1 (0.34) RIPK1KDM4EPOLBNTRK1NTRK2
SCHEMBL24736754 0.74 RIPK1 (0.34) RIPK1KDM4EPOLBNTRK1NTRK2
SCHEMBL5076546 0.70 MAP4K4 (0.39) RIPK1KDM4E
SCHEMBL18666950 0.69 CA1 (0.39) RIPK1KDM4EPOLBMAPTRET

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