SCHEMBL30183114

SCHEMBL30183114

CCc1cc(Nc2nccn3c(-c4ccc(Oc5ncccn5)c(F)c4F)cnc23)ccc1C(=O)NCC1CCN(CC2CCNC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 5/20 0.38
▸ PTK6 Q13882 3/20 0.37
▸ TTK P33981 5/20 0.33
▸ JAK2 O60674 2/20 0.33
▸ JAK1 P23458 2/20 0.33
▸ HTR4 Q13639 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ AURKB Q96GD4 2/20 0.32
▸ LCK P06239 1/20 0.32
▸ MAPKAPK5 Q8IW41 1/20 0.32
▸ IL1B P01584 1/20 0.31
▸ P2RX7 Q99572 1/20 0.31

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
SCHEMBL22123484 1.00 PTK2 (0.38) PTK2PTK6TTKJAK2JAK1
Formic Acid SCHEMBL30171801 0.98 PTK2 (0.36) PTK2PTK6TTKJAK2JAK1
SCHEMBL30385433 0.93 PTK2 (0.42) PTK2PTK6TTKJAK2JAK1
SCHEMBL24871015 0.93 PTK2 (0.41) PTK2PTK6TTKCNR2AURKB
Hydrochloric Acid SCHEMBL25173468 0.92 PTK2 (0.41) PTK2PTK6TTKJAK2JAK1
SCHEMBL22123091 0.92 PTK6 (0.35) PTK2PTK6TTK
SCHEMBL22122896 0.91 PTK2 (0.35) PTK2PTK6TTKJAK2JAK1
Formic Acid SCHEMBL30171526 0.91 PTK2 (0.40) PTK2PTK6TTKCNR2AURKB
Formic Acid SCHEMBL30171731 0.90 PTK6 (0.34) PTK2PTK6TTK
SCHEMBL24112441 0.90 PTK2 (0.36) PTK2PTK6TTKJAK2JAK1

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
Send feedback