SCHEMBL26856386

SCHEMBL26856386

N#Cc1ccc2c(c1)C(=O)c1nc3c(Br)ccc(F)c3c(=O)n1-2

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 14/20 0.42
▸ TDO2 P48775 11/20 0.42
▸ IDO2 Q6ZQW0 9/20 0.42
▸ CHEK1 O14757 1/20 0.40
▸ PIM1 P11309 1/20 0.40
▸ LIMK1 P53667 1/20 0.40
▸ TYRO3 Q06418 1/20 0.40
▸ MAPK14 Q16539 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40
▸ CASP3 P42574 1/20 0.39
▸ APAF1 O14727 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MITF O75030 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL26614160 0.80 IDO1 (0.50) IDO1TDO2IDO2CHEK1PIM1
SCHEMBL30639113 0.80 IDO1 (0.50) IDO1TDO2IDO2CHEK1PIM1
SCHEMBL26856391 0.78 IDO1 (0.52) IDO1TDO2IDO2CHEK1PIM1
SCHEMBL26856389 0.73 APAF1 (0.50) IDO1TDO2IDO2CHEK1PIM1
SCHEMBL31382838 0.72 IDO1 (0.63) IDO1TDO2IDO2APAF1MEN1
SCHEMBL26614153 0.72 TDO2 (0.63) IDO1TDO2IDO2APAF1MEN1
SCHEMBL30639061 0.72 TDO2 (0.63) IDO1TDO2IDO2APAF1MEN1
SCHEMBL26614193 0.72 IDO1 (0.63) IDO1TDO2IDO2APAF1MEN1
SCHEMBL26855808 0.72 IDO1 (0.48) IDO1TDO2IDO2APAF1MEN1
SCHEMBL31382877 0.70 TDO2 (0.69) IDO1TDO2IDO2APAF1MEN1

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
Send feedback