SCHEMBL30183403

SCHEMBL30183403

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)NCCNC(=O)N5CCNCC5)c(C)c4)nccn23)c(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 14/20 0.47
▸ AURKB Q96GD4 6/20 0.43
▸ TTK P33981 5/20 0.42
▸ LCK P06239 5/20 0.38
▸ PTK2 Q05397 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
SCHEMBL30183124 0.93 PTK6 (0.46) PTK6AURKBTTKLCK
SCHEMBL22123977 0.92 PTK6 (0.44) PTK6AURKBTTKPTK2
SCHEMBL30171824 0.92 PTK6 (0.44) PTK6AURKBTTKPTK2
Hydrochloric Acid SCHEMBL30171690 0.91 PTK6 (0.43) PTK6AURKBTTKPTK2
SCHEMBL22122922 0.91 PTK6 (0.43) PTK6AURKBTTK
SCHEMBL30171553 0.91 PTK6 (0.43) PTK6AURKBTTK
SCHEMBL25444479 0.90 PTK6 (0.42) PTK6AURKBTTKPTK2
SCHEMBL22123396 0.90 PTK6 (0.40) PTK6AURKBTTKLCKPTK2
SCHEMBL24870811 0.90 PTK6 (0.40) PTK6AURKBTTKLCKPTK2
SCHEMBL30171918 0.90 PTK6 (0.40) PTK6AURKBTTKLCKPTK2

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-3898631-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP claimed
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