SCHEMBL19146242

SCHEMBL19146242

CC(C)C(=O)Nc1nc2c(ncn2[C@H]2C[C@H](N)[C@@H](CO)O2)c(=O)[nH]1

nearest known ligand 0.82

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.71
▸ POLA1 P09884 1/20 0.53
▸ TAS1R3 Q7RTX0 1/20 0.46
▸ TAS1R1 Q7RTX1 1/20 0.46
▸ PNP P00491 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ PDE3A Q14432 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ HIF1A Q16665 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL18521980 1.00 KDM4E (0.71) KDM4EPOLA1TAS1R3TAS1R1PNP
SCHEMBL10068104 0.90 KDM4E (0.72) KDM4EPOLA1TAS1R3TAS1R1PNP
SCHEMBL12714741 0.90 KDM4E (0.72) KDM4EPOLA1TAS1R3TAS1R1PNP
SCHEMBL264546 0.90 KDM4E (0.72) KDM4EPOLA1TAS1R3TAS1R1PNP
SCHEMBL20346237 0.90 KDM4E (0.72) KDM4EPOLA1TAS1R3TAS1R1PNP
SCHEMBL264545 0.90 KDM4E (0.72) KDM4EPOLA1TAS1R3TAS1R1PNP
SCHEMBL25507075 0.90 KDM4E (0.72) KDM4EPOLA1TAS1R3TAS1R1PNP
SCHEMBL25797554 0.90 KDM4E (0.72) KDM4EPOLA1TAS1R3TAS1R1PNP
SCHEMBL25504733 0.90 KDM4E (0.72) KDM4EPOLA1TAS1R3TAS1R1PNP
SCHEMBL18521398 0.89 KDM4E (0.71) KDM4EPOLA1TAS1R3TAS1R1PNP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020117739-A1 PROCESS FOR THE PREPARATION OF A CYCLIC DINUCLEOTIDE BRISTOL-MYERS SQUIBB COMPANY (US) 2020-06-11 — — WO disclosed
WO-2017123669-A1 CYCLIC DINUCLEOTIDES FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY SUCH AS CANCER GLICK GARY (US) 2017-07-20 — — WO disclosed
Send feedback