SCHEMBL30168215

SCHEMBL30168215

CCc1cc(Nc2nccn3c(-c4ccc(OC)c(Cl)c4)cnc23)ccc1NC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 2/20 0.45
▸ FYN P06241 3/20 0.44
▸ STK4 Q13043 1/20 0.41
▸ TTK P33981 4/20 0.41
▸ MC4R P32245 1/20 0.40
▸ RAD52 P43351 1/20 0.38
▸ EGFR P00533 5/20 0.38
▸ KDR P35968 5/20 0.38
▸ LCK P06239 2/20 0.38
▸ ERBB2 P04626 1/20 0.38
▸ FLT1 P17948 1/20 0.37
▸ FLT4 P35916 1/20 0.37
▸ AURKB Q96GD4 1/20 0.37
▸ ROS1 P08922 1/20 0.37
▸ ALK Q9UM73 1/20 0.37
▸ IGF1R P08069 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
SCHEMBL24105033 1.00 PTK6 (0.45) PTK6FYNSTK4TTKMC4R
SCHEMBL24105229 0.93 PTK6 (0.49) PTK6FYNSTK4TTKMC4R
SCHEMBL30168157 0.93 PTK6 (0.49) PTK6FYNSTK4TTKMC4R
SCHEMBL30371857 0.90 PTK6 (0.46) PTK6FYNSTK4TTKMC4R
SCHEMBL25447277 0.90 PTK6 (0.46) PTK6FYNSTK4TTKMC4R
SCHEMBL24105218 0.88 PTK6 (0.47) PTK6FYNTTKEGFRKDR
SCHEMBL30168129 0.88 TTK (0.45) PTK6FYNTTKMC4R
SCHEMBL24104766 0.88 TTK (0.45) PTK6FYNTTKMC4R
SCHEMBL25167794 0.82 PTK6 (0.46) PTK6TTKKDRAURKBIGF1R
SCHEMBL30168204 0.82 PTK6 (0.46) PTK6TTKKDRAURKBIGF1R

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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