SCHEMBL26229804

SCHEMBL26229804

CO[C@H]1[C@@H](O)[C@H](c2ccc3c(N)ncnn23)O[C@]1(C)COC(=O)C1CC(C)(C)C1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ POLRMT O00411 1/20 0.43
▸ DOT1L Q8TEK3 3/20 0.36
▸ RIPK1 Q13546 6/20 0.34
▸ TNK2 Q07912 1/20 0.31
▸ STING1 Q86WV6 1/20 0.31
▸ CSNK2A2 P19784 3/20 0.30
▸ CSNK2A1 P68400 3/20 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
SCHEMBL26230753 0.92 POLRMT (0.47) POLRMTDOT1LRIPK1TNK2STING1
SCHEMBL26230168 0.89 POLRMT (0.44) POLRMTDOT1LRIPK1STING1CSNK2A2
SCHEMBL26231208 0.87 POLRMT (0.43) POLRMTDOT1LRIPK1TNK2
SCHEMBL26229762 0.85 POLRMT (0.47) POLRMTDOT1LRIPK1TNK2STING1
SCHEMBL26229983 0.85 POLRMT (0.41) POLRMTDOT1LRIPK1TNK2CSNK2A2
SCHEMBL26229976 0.84 POLRMT (0.46) POLRMTDOT1LRIPK1TNK2STING1
SCHEMBL25384987 0.84 POLRMT (0.43) POLRMTDOT1LRIPK1TNK2STING1
SCHEMBL26229811 0.83 POLRMT (0.46) POLRMTDOT1LTNK2STING1
SCHEMBL26238995 0.81 POLRMT (0.48) POLRMTDOT1LRIPK1STING1CSNK2A2
SCHEMBL26230341 0.81 POLRMT (0.49) POLRMTDOT1LRIPK1STING1

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-2023168194-A1 ANTIVIRAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME GILEAD SCIENCES, INC. (US) 2023-09-07 — — WO disclosed
Send feedback