SCHEMBL30402648

SCHEMBL30402648

N#CCOc1ccc(-c2cnc3c(Nc4ccc(C(=O)NCCOCCN5CCNCC5)c(Cl)c4)nccn23)c(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 14/20 0.47
▸ LCK P06239 6/20 0.36
▸ AURKB Q96GD4 4/20 0.36
▸ EGFR P00533 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ BRDT Q58F21 1/20 0.33

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
SCHEMBL22123032 0.95 PTK6 (0.48) PTK6LCKAURKBEGFRKDM4E
SCHEMBL22123217 0.92 PTK6 (0.48) PTK6LCKAURKBEGFR
SCHEMBL22124741 0.91 PTK6 (0.40) PTK6LCKAURKB
SCHEMBL22123687 0.90 PTK6 (0.48) PTK6LCKAURKBEGFRHTR2A
SCHEMBL32675695 0.89 PTK6 (0.42) PTK6LCKAURKBBRD4BRDT
SCHEMBL25452721 0.89 PTK6 (0.40) PTK6LCKAURKB
SCHEMBL24112493 0.89 PTK6 (0.41) PTK6LCKAURKBEGFR
SCHEMBL30172007 0.89 PTK6 (0.38) PTK6EGFRSMN1; SMN2
SCHEMBL22124671 0.89 PTK6 (0.38) PTK6EGFRSMN1; SMN2
SCHEMBL25450748 0.86 PTK6 (0.39) PTK6LCKAURKB

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
EP-3898630-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-05-10 — — EP claimed
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