SCHEMBL20325302

SCHEMBL20325302

Nc1nc2c(ncn2[C@H]2CC[C@@H](CO[PH](=O)OC3C[C@H](n4ccc5c(N)ncnc54)OC3COP(=O)(O)S)O2)c(=O)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.46
▸ P2RY2 P41231 1/20 0.46
▸ P2RY4 P51582 1/20 0.46
▸ P2RY6 Q15077 1/20 0.46
▸ STING1 Q86WV6 7/20 0.46
▸ F2 P00734 1/20 0.41
▸ NT5E P21589 1/20 0.41
▸ TERT O14746 1/20 0.41
▸ FUT5 Q11128 1/20 0.40
▸ TGM2 P21980 1/20 0.39
▸ DTYMK P23919 2/20 0.38

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
SCHEMBL20327609 1.00 POLB (0.46) POLBP2RY2P2RY4P2RY6STING1
SCHEMBL22930699 0.93 POLB (0.49) POLBP2RY2P2RY4P2RY6STING1
SCHEMBL20324897 0.91 POLB (0.48) POLBP2RY2P2RY4P2RY6STING1
SCHEMBL20327045 0.91 POLB (0.48) POLBP2RY2P2RY4P2RY6STING1
SCHEMBL20324708 0.91 POLB (0.48) POLBP2RY2P2RY4P2RY6STING1
SCHEMBL20325304 0.89 POLB (0.46) POLBP2RY2P2RY4P2RY6STING1
SCHEMBL20324898 0.84 STING1 (0.48) POLBP2RY2P2RY4P2RY6STING1
SCHEMBL20327546 0.84 STING1 (0.48) POLBP2RY2P2RY4P2RY6STING1
SCHEMBL20327551 0.84 STING1 (0.48) POLBP2RY2P2RY4P2RY6STING1
SCHEMBL20327210 0.84 STING1 (0.48) POLBP2RY2P2RY4P2RY6STING1

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-2018118664-A1 COMBINATIONS OF PD-1 ANTAGONISTS AND CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT MERCK SHARP & DOHME CORP. (US) 2018-06-28 — — WO disclosed
Send feedback