SCHEMBL30167878

SCHEMBL30167878

COc1ccc(-c2cnc3c(Nc4ccc(NC(=O)COCCN)c(C)c4)nccn23)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 5/20 0.41
▸ KDR P35968 7/20 0.39
▸ AURKA O14965 1/20 0.38
▸ ZAP70 P43403 1/20 0.38
▸ KARS1 Q15046 1/20 0.38
▸ EGFR P00533 3/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPKAPK5 Q8IW41 1/20 0.37
▸ PTK6 Q13882 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ TNIK Q9UKE5 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
SCHEMBL24105238 1.00 TTK (0.41) TTKKDRAURKAZAP70KARS1
Hydrochloric Acid SCHEMBL30168139 0.99 TTK (0.40) TTKKDRAURKAZAP70KARS1
Trifluoroacetic Acid SCHEMBL30168162 0.95 TTK (0.38) TTKKDRAURKAZAP70KARS1
SCHEMBL30371277 0.87 BRD4 (0.42) TTKKDRAURKAEGFRTNIK
SCHEMBL24105221 0.87 KDR (0.45) TTKKDRAURKAEGFRALDH1A1
SCHEMBL24104678 0.85 TTK (0.44) TTKKDRAURKAEGFRALDH1A1
SCHEMBL30168196 0.85 TTK (0.44) TTKKDRAURKAEGFRALDH1A1
SCHEMBL22124744 0.82 TTK (0.45) TTKMAPKAPK5PTK6
SCHEMBL24105192 0.82 PTK6 (0.47) TTKKDREGFRALDH1A1PTK6
Hydrochloric Acid SCHEMBL30171610 0.82 TTK (0.45) TTKMAPKAPK5PTK6

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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