SCHEMBL30183124

SCHEMBL30183124

CCc1cc(Nc2nccn3c(-c4ccc(OC)c(F)c4F)cnc23)ccc1C(=O)NCCNC(=O)N1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 15/20 0.46
▸ AURKB Q96GD4 6/20 0.41
▸ LCK P06239 5/20 0.39
▸ TTK P33981 2/20 0.36
▸ FGFR3 P22607 1/20 0.36
▸ MAPKAPK5 Q8IW41 1/20 0.35
▸ BCL6 P41182 1/20 0.35

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
SCHEMBL22142746 0.93 PTK6 (0.47) PTK6AURKBLCKTTKFGFR3
SCHEMBL30183403 0.93 PTK6 (0.47) PTK6AURKBLCKTTK
SCHEMBL22142817 0.92 PTK6 (0.44) PTK6AURKBLCKTTKFGFR3
SCHEMBL22123078 0.92 PTK6 (0.43) PTK6AURKBLCKTTKFGFR3
SCHEMBL30171622 0.92 PTK6 (0.43) PTK6AURKBLCKTTKFGFR3
SCHEMBL22139163 0.92 PTK6 (0.44) PTK6AURKBLCKTTKFGFR3
SCHEMBL24870782 0.91 PTK6 (0.43) PTK6AURKBLCKTTKFGFR3
SCHEMBL22124105 0.90 PTK6 (0.55) PTK6AURKBLCKMAPKAPK5
SCHEMBL24870995 0.90 PTK6 (0.40) PTK6AURKBLCKTTKMAPKAPK5
SCHEMBL22123411 0.90 PTK6 (0.40) PTK6AURKBLCKTTKMAPKAPK5

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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