SCHEMBL30168157

SCHEMBL30168157

COc1ccc(-c2cnc3c(Nc4ccc(NC(C)=O)c(Cl)c4)nccn23)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 2/20 0.49
▸ FYN P06241 2/20 0.47
▸ EGFR P00533 7/20 0.43
▸ KDR P35968 7/20 0.43
▸ STK4 Q13043 1/20 0.41
▸ TTK P33981 2/20 0.41
▸ MC4R P32245 1/20 0.41
▸ GRM4 Q14833 2/20 0.40
▸ ERBB2 P04626 1/20 0.40
▸ LCK P06239 1/20 0.40
▸ FLT1 P17948 1/20 0.40
▸ FLT4 P35916 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ MALT1 Q9UDY8 1/20 0.39

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
SCHEMBL24105229 1.00 PTK6 (0.49) PTK6FYNEGFRKDRSTK4
SCHEMBL30371857 0.94 PTK6 (0.46) PTK6FYNEGFRKDRSTK4
SCHEMBL25447277 0.94 PTK6 (0.46) PTK6FYNEGFRKDRSTK4
SCHEMBL30168215 0.93 PTK6 (0.45) PTK6FYNEGFRKDRSTK4
SCHEMBL24105033 0.93 PTK6 (0.45) PTK6FYNEGFRKDRSTK4
SCHEMBL24105218 0.92 PTK6 (0.47) PTK6FYNEGFRKDRTTK
SCHEMBL30167789 0.89 PTK6 (0.49) PTK6FYNEGFRKDRTTK
SCHEMBL24105025 0.89 PTK6 (0.49) PTK6FYNEGFRKDRTTK
SCHEMBL25167794 0.84 PTK6 (0.46) PTK6KDRTTK
SCHEMBL30168204 0.84 PTK6 (0.46) PTK6KDRTTK

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
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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