SCHEMBL26857744

SCHEMBL26857744

CO/N=C1\c2cc(C#N)ccc2-n2c1nc1cc(CN3CCN(C)CC3)ccc1c2=O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 12/20 0.51
▸ TDO2 P48775 11/20 0.51
▸ IDO2 Q6ZQW0 6/20 0.51
▸ PARP1 P09874 3/20 0.38
▸ TNK2 Q07912 3/20 0.38
▸ TNK1 Q13470 3/20 0.38
▸ GRM2 Q14416 1/20 0.37
▸ CHKA P35790 2/20 0.36
▸ KCNH2 Q12809 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ ALK Q9UM73 1/20 0.35

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
SCHEMBL26855825 0.88 IDO1 (0.66) IDO1TDO2IDO2GRM2
SCHEMBL26614235 0.85 IDO1 (0.53) IDO1TDO2IDO2GRM2KCNH2
SCHEMBL30639095 0.85 TDO2 (0.60) IDO1TDO2IDO2
SCHEMBL30639092 0.85 IDO1 (0.53) IDO1TDO2IDO2GRM2KCNH2
SCHEMBL26614224 0.85 TDO2 (0.60) IDO1TDO2IDO2
SCHEMBL26855331 0.81 KMT2A (0.49) IDO1TDO2IDO2
SCHEMBL26855094 0.77 CTNNB1 (0.42) IDO1TDO2IDO2
SCHEMBL26614094 0.75 IDO1 (0.85) IDO1TDO2IDO2GRM2
SCHEMBL30639055 0.75 IDO1 (0.46) IDO1TDO2IDO2
SCHEMBL26614194 0.72 IDO1 (0.41) IDO1TDO2IDO2

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-2023211977-A1 TRYPTANTHRIN DERIVATIVES AND USES THEREOF VISCIENT BIO, INC. (US) 2023-11-02 — — WO disclosed
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