SCHEMBL30385433

SCHEMBL30385433

CCc1cc(Nc2nccn3c(-c4ccc(OC)c(F)c4F)cnc23)ccc1C(=O)NCC1CCN(CC2CCNC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 6/20 0.42
▸ PTK6 Q13882 2/20 0.37
▸ TTK P33981 3/20 0.35
▸ HTR4 Q13639 6/20 0.34
▸ ACHE P22303 2/20 0.34
▸ AURKB Q96GD4 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ MAPKAPK5 Q8IW41 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
SCHEMBL22123294 0.94 PTK2 (0.43) PTK2PTK6TTKHTR4AURKB
SCHEMBL22122856 0.94 PTK2 (0.43) PTK2PTK6TTKHTR4AURKB
SCHEMBL22122871 0.94 PTK2 (0.39) PTK2PTK6TTKHTR4AURKB
Hydrochloric Acid SCHEMBL30172045 0.93 PTK2 (0.43) PTK2PTK6TTKHTR4AURKB
Hydrochloric Acid SCHEMBL30171580 0.93 PTK2 (0.43) PTK2PTK6TTKHTR4AURKB
SCHEMBL22123484 0.93 PTK2 (0.38) PTK2PTK6TTKHTR4AURKB
SCHEMBL30183114 0.93 PTK2 (0.38) PTK2PTK6TTKHTR4AURKB
SCHEMBL22123264 0.93 PTK2 (0.46) PTK2PTK6TTKHTR4AURKB
SCHEMBL22122896 0.91 PTK2 (0.35) PTK2PTK6TTKJAK2JAK1
Formic Acid SCHEMBL30171801 0.91 PTK2 (0.36) PTK2PTK6TTKHTR4AURKB

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-4161931-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-04-12 — — EP disclosed
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