SCHEMBL30639084

SCHEMBL30639084

O=C1c2cc(C(=O)N3CCNCC3)ccc2-n2c1nc1cc(Cl)cc(Cl)c1c2=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.44
▸ ADORA1 P30542 1/20 0.44
▸ APAF1 O14727 1/20 0.43
▸ IDO1 P14902 5/20 0.42
▸ TDO2 P48775 4/20 0.42
▸ IDO2 Q6ZQW0 4/20 0.42
▸ MAPK14 Q16539 3/20 0.41
▸ SRC P12931 1/20 0.39
▸ HRH4 Q9H3N8 2/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ PARP2 Q9UGN5 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ RHEB Q15382 1/20 0.37
▸ SIGMAR1 Q99720 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
SCHEMBL26614178 1.00 ADORA2A (0.44) ADORA2AADORA1APAF1IDO1TDO2
SCHEMBL26614297 0.90 APAF1 (0.46) ADORA2AADORA1APAF1IDO1TDO2
SCHEMBL26614187 0.86 APAF1 (0.53) ADORA2AADORA1APAF1IDO1TDO2
SCHEMBL30639059 0.86 APAF1 (0.53) ADORA2AADORA1APAF1IDO1TDO2
SCHEMBL26614087 0.84 IDO1 (0.50) APAF1IDO1TDO2IDO2
SCHEMBL30639062 0.84 IDO1 (0.50) APAF1IDO1TDO2IDO2
SCHEMBL30639058 0.83 APAF1 (0.53) APAF1IDO1TDO2IDO2MAPK14
SCHEMBL26614131 0.83 APAF1 (0.53) APAF1IDO1TDO2IDO2MAPK14
SCHEMBL31382855 0.82 APAF1 (0.49) APAF1IDO1TDO2IDO2MAPK14
SCHEMBL26614226 0.82 APAF1 (0.49) APAF1IDO1TDO2IDO2MAPK14

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4514804-A1 TRYPTANTHRIN DERIVATIVES AND USES THEREOF Viscient Bio, Inc. (US) 2025-03-05 — — EP disclosed
CN-119487031-A Tryptanthrin derivatives and uses thereof 威森特生物公司 2025-02-18 — — CN disclosed
WO-2023211977-A1 TRYPTANTHRIN DERIVATIVES AND USES THEREOF VISCIENT BIO, INC. (US) 2023-11-02 — — WO disclosed
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