SCHEMBL30167861

SCHEMBL30167861

COc1ccc(-c2cnc3c(Nc4ccc(NC(=O)COCCOCCN)cc4)nccn23)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 1/20 0.41
▸ MAPKAPK5 Q8IW41 3/20 0.40
▸ TTK P33981 4/20 0.40
▸ USP2 O75604 1/20 0.40
▸ IGF1R P08069 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CYP1B1 Q16678 2/20 0.36
▸ CYP1A1 P04798 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ BRAF P15056 1/20 0.36
▸ AURKA O14965 1/20 0.36

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
SCHEMBL24104736 1.00 PTK6 (0.41) PTK6MAPKAPK5TTKUSP2IGF1R
SCHEMBL25170919 0.98 PTK6 (0.42) PTK6MAPKAPK5TTKUSP2IGF1R
SCHEMBL25167794 0.86 PTK6 (0.46) PTK6MAPKAPK5TTKUSP2IGF1R
SCHEMBL30168204 0.86 PTK6 (0.46) PTK6MAPKAPK5TTKUSP2IGF1R
SCHEMBL24105218 0.84 PTK6 (0.47) PTK6MAPKAPK5TTKALDH1A1AURKA
SCHEMBL30168133 0.82 PTK6 (0.42) PTK6MAPKAPK5TTKIGF1RALDH1A1
SCHEMBL22124679 0.82 TTK (0.44) PTK6MAPKAPK5TTKBRAF
SCHEMBL22139065 0.81 MAPKAPK5 (0.54) PTK6MAPKAPK5TTK
SCHEMBL22122845 0.81 TTK (0.50) PTK6MAPKAPK5TTK
Hydrochloric Acid SCHEMBL22123544 0.81 TTK (0.44) PTK6MAPKAPK5TTKBRAF

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-115667264-A Novel imidazo-pyrazine derivatives 豪夫迈·罗氏有限公司 2023-01-31 — — CN claimed
CN-115667264-A Novel imidazo-pyrazine derivatives 豪夫迈·罗氏有限公司 2023-01-31 — — CN disclosed
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