SCHEMBL22423972

SCHEMBL22423972

C[S+]([O-])c1nc2c(c(=O)n1-c1ccc(S(C)(=O)=O)cc1)CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 17/20 0.45
PARP1 P09874 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
GCK P35557 2/20 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
SCHEMBL3298689 0.89 PARP1 (0.47) GPR119PARP1TNKS2PARP2
SCHEMBL22410639 0.85 GPR119 (0.46) GPR119PARP1TNKS2PARP2GCK
SCHEMBL22410777 0.82 GPR119 (0.43) GPR119PARP1TNKS2PARP2GCK
SCHEMBL3303490 0.81 PARP1 (0.41) GPR119PARP1TNKS2PARP2
SCHEMBL22410755 0.80 P2RX3 (0.45) PARP1TNKS2PARP2
SCHEMBL22423970 0.75 GPR119 (0.47) GPR119
SCHEMBL13250459 0.75 PARP1 (0.42) GPR119PARP1TNKS2PARP2GCK
SCHEMBL13250470 0.73 PARP1 (0.46) GPR119PARP1TNKS2PARP2GCK
SCHEMBL29579602 0.73 MAPT (0.48) GPR119PARP1TNKS2PARP2
SCHEMBL3296988 0.72 PARP1 (0.48) GPR119PARP1TNKS2PARP2

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-2020182990-A1 FUSED RING PYRIMIDONE DERIVATIVES FOR USE IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2020-09-17 WO disclosed