SCHEMBL28603777

SCHEMBL28603777

CCCN(C(=O)N(CC)C(=O)c1ccc(Nc2nccn3c(-c4ccc(OCC#N)c(F)c4F)cnc23)cc1Cl)N(C)C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 8/20 0.39
▸ LCK P06239 2/20 0.33
▸ AURKB Q96GD4 2/20 0.33
▸ EGFR P00533 1/20 0.31
▸ MAPKAPK5 Q8IW41 1/20 0.30
▸ IGF1R P08069 1/20 0.30
▸ AURKA O14965 1/20 0.30

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
SCHEMBL22124776 0.88 PTK6 (0.37) PTK6LCKAURKBEGFRIGF1R
SCHEMBL30402469 0.88 PTK6 (0.37) PTK6LCKAURKBEGFRIGF1R
SCHEMBL24112346 0.86 PTK6 (0.39) PTK6LCKAURKBEGFRMAPKAPK5
SCHEMBL30385589 0.84 PTK6 (0.45) PTK6LCKAURKBEGFRMAPKAPK5
SCHEMBL24112347 0.84 PTK6 (0.39) PTK6LCKAURKBEGFRIGF1R
Hydrochloric Acid SCHEMBL25176002 0.84 PTK6 (0.45) PTK6LCKAURKBEGFRMAPKAPK5
SCHEMBL28982214 0.82 PTK6 (0.38) PTK6LCKAURKBEGFR
SCHEMBL22123725 0.82 PTK6 (0.47) PTK6LCKAURKB
SCHEMBL30171867 0.82 PTK6 (0.47) PTK6LCKAURKB
SCHEMBL22160965 0.82 PTK6 (0.40) PTK6LCKAURKBEGFR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113195498-A Novel imidazopyrazine derivatives 豪夫迈·罗氏有限公司 2021-07-30 — — CN claimed
CN-113226469-A Imidazopyrazine derivatives as antibacterial agents 豪夫迈·罗氏有限公司 2021-08-06 — — CN disclosed
CN-113195496-A Imidazopyrazine derivatives as antibacterial agents 豪夫迈·罗氏有限公司 2021-07-30 — — CN disclosed
CN-113195498-A Novel imidazopyrazine derivatives 豪夫迈·罗氏有限公司 2021-07-30 — — CN disclosed
CN-113195497-A Novel imidazopyrazine derivatives 豪夫迈·罗氏有限公司 2021-07-30 — — CN disclosed
CN-113164771-A Imidazopyrazine derivatives as antibacterial agents 豪夫迈·罗氏有限公司 2021-07-23 — — CN disclosed
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