SCHEMBL25830622

SCHEMBL25830622

CCn1nc(C)cc1C(=O)Nc1nc2c(n1Cc1ccc(P(=O)(O)O)cc1)=CC1OCCOC1C=2

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 3/20 0.58
STING1 Q86WV6 16/20 0.41
TBK1 Q9UHD2 1/20 0.41
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL25826031 0.78 ENPP1 (0.69) ENPP1STING1TBK1
SCHEMBL25826032 0.76 ENPP1 (0.69) ENPP1STING1TBK1
SCHEMBL25826029 0.76 ENPP1 (0.72) ENPP1STING1TBK1
SCHEMBL25438829 0.73 ENPP1 (1.00) ENPP1STING1TBK1
SCHEMBL25435827 0.72 ENPP1 (0.59) ENPP1STING1TBK1
SCHEMBL25437783 0.72 ENPP1 (0.84) ENPP1STING1
SCHEMBL25435618 0.72 ENPP1 (0.77) ENPP1STING1
SCHEMBL25830588 0.71 ENPP1 (0.57) ENPP1STING1TBK1
SCHEMBL25437528 0.71 ENPP1 (0.66) ENPP1STING1TBK1
SCHEMBL25256102 0.70 ENPP1 (0.59) ENPP1STING1TBK1

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-2023131333-A1 BENZIMIDAZOLE COMPOUND AND MEDICAL USE THEREOF 中国科学院上海药物研究所 2023-07-13 WO disclosed