SCHEMBL29079816

SCHEMBL29079816

COc1ccc(-c2ccc(Cl)n2C)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ DRD1 P21728 6/20 0.38
▸ CRHR1 P34998 4/20 0.38
▸ TLR8 Q9NR97 1/20 0.37
▸ AR P10275 1/20 0.37
▸ RAD52 P43351 1/20 0.36
▸ TEK Q02763 2/20 0.36
▸ HTR3E A5X5Y0 1/20 0.36
▸ HTR3B O95264 1/20 0.36
▸ HTR3A P46098 1/20 0.36
▸ HTR3D Q70Z44 1/20 0.36
▸ HTR3C Q8WXA8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ DRD5 P21918 1/20 0.35
▸ DRD3 P35462 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
SCHEMBL17178254 0.75 CRHR1 (0.42) DRD1CRHR1L3MBTL1
SCHEMBL12326180 0.74 CA1 (0.50) MEN1KMT2AHTR3EHTR3BHTR3A
SCHEMBL10563856 0.72 ALDH1A1 (0.44) KMT2ADRD1CRHR1RAD52L3MBTL1
SCHEMBL29534401 0.71 DRD1 (0.40) MEN1KMT2ADRD1CRHR1TLR8
SCHEMBL24343780 0.71 DRD1 (0.40) MEN1KMT2ADRD1CRHR1TLR8
SCHEMBL10568492 0.70 CRHR1 (0.40) CRHR1TLR8RAD52HTR3EHTR3B
SCHEMBL14301863 0.69 MEN1 (0.52) MEN1KMT2A
SCHEMBL29079836 0.68 KMT2A (0.43) KMT2AHTR3A
SCHEMBL29079923 0.68 DYRK1A (0.38) MEN1KMT2AL3MBTL1
SCHEMBL679848 0.67 SMN1; SMN2 (0.55) MEN1KMT2A

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 2 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
CN-116648453-A 5-and 6-azaindole compounds for inhibiting Bcr-Abl tyrosine kinase 活力疗法公司 2023-08-25 — — CN disclosed
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