SCHEMBL25825976

SCHEMBL25825976

CCn1nc(C)cc1C(=O)Nc1nc2cc(C#N)ccc2n1Cc1ccc(P(=O)(OCC(F)(F)F)OCC(F)(F)F)cc1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 3/20 0.77
STING1 Q86WV6 14/20 0.47
TBK1 Q9UHD2 1/20 0.47
ITK Q08881 3/20 0.40

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
SCHEMBL25825973 0.92 ENPP1 (0.83) ENPP1STING1TBK1ITK
SCHEMBL25825977 0.89 ENPP1 (0.75) ENPP1STING1TBK1ITK
SCHEMBL25829002 0.88 ENPP1 (0.71) ENPP1STING1TBK1ITK
SCHEMBL25438829 0.87 ENPP1 (1.00) ENPP1STING1TBK1ITK
SCHEMBL25829027 0.85 ENPP1 (0.69) ENPP1STING1TBK1ITK
SCHEMBL25827047 0.85 ENPP1 (0.71) ENPP1STING1TBK1ITK
SCHEMBL25256178 0.84 ENPP1 (0.82) ENPP1STING1TBK1ITK
SCHEMBL25832974 0.83 ENPP1 (0.68) ENPP1STING1TBK1ITK
SCHEMBL25825978 0.83 ENPP1 (0.77) ENPP1STING1TBK1ITK
SCHEMBL25825851 0.83 ENPP1 (0.79) ENPP1STING1TBK1ITK

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