SCHEMBL29534809

SCHEMBL29534809

COc1ccc(COc2ncnc(OC)c2I)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APP P05067 7/20 0.56
CNR1 P21554 2/20 0.47
CNR2 P34972 2/20 0.47
MAOB P27338 1/20 0.46
IDO1 P14902 2/20 0.44
AGXT P21549 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL24344230 1.00 APP (0.56) APPCNR1CNR2MAOBIDO1
SCHEMBL24343978 0.81 APP (0.56) APPCNR1CNR2MAOBIDO1
SCHEMBL14478707 0.76 APP (0.54) APPCNR1CNR2MAOBIDO1
SCHEMBL29353856 0.74 HTT (0.50) APPCNR1CNR2MAOBIDO1
SCHEMBL19785394 0.74 APP (0.48) APPCNR1CNR2MAOBIDO1
SCHEMBL2414177 0.73 APP (0.54) APPCNR1CNR2MAOBIDO1
SCHEMBL17882844 0.73 NPC1 (0.56) APPCNR1CNR2MAOBIDO1
SCHEMBL2413783 0.73 APP (0.54) APPCNR1CNR2MAOBIDO1
SCHEMBL20000873 0.72 APP (0.80) APPMAOBIDO1AGXTSMN1; SMN2
SCHEMBL12284212 0.72 APP (0.53) APPCNR1CNR2MAOBIDO1

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
CN-119019388-A 5-And 6-azaindole compounds for inhibiting Bcr-Abl tyrosine kinase 英莱汶公司 2024-11-26 CN disclosed
EP-4225742-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES Enliven Therapeutics, Inc. (US) 2023-08-16 EP disclosed
WO-2022076975-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ENLIVEN THERAPEUTICS, INC. (US) 2022-04-14 WO disclosed