SCHEMBL22123571

SCHEMBL22123571

Cc1cc(Nc2nccn3c(I)cnc23)ccc1C(=O)NCCOCCNC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 1/20 0.41
▸ TTK P33981 4/20 0.40
▸ BRD4 O60885 1/20 0.36
▸ PTK6 Q13882 2/20 0.36
▸ KDR P35968 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ JAK2 O60674 2/20 0.34
▸ JAK1 P23458 2/20 0.34
▸ TYK2 P29597 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPK14 Q16539 2/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ PIM2 Q9P1W9 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
SCHEMBL22125113 0.92 BRAF (0.41) BRAFTTKBRD4PTK6KDR
SCHEMBL22123829 0.91 TTK (0.35) BRAFTTKBRD4PTK6KDR
SCHEMBL28605383 0.90 BRD4 (0.47) BRAFTTKBRD4PTK6KDR
SCHEMBL22123569 0.88 BRD4 (0.36) TTKBRD4PTK6KDRMAPT
SCHEMBL22154500 0.84 BRAF (0.41) BRAFTTKBRD4PTK6KDR
SCHEMBL28982156 0.83 PTK6 (0.43) TTKPTK6MAPTKMT2ATP53
SCHEMBL28916262 0.83 TTK (0.36) TTKBRD4PTK6KDRMAPT
SCHEMBL22123117 0.83 MEN1 (0.48) TTKBRD4PTK6MAPTMEN1
SCHEMBL22123826 0.83 BRD4 (0.35) TTKBRD4PTK6SYK
SCHEMBL25173550 0.82 PTK6 (0.42) BRD4PTK6PIM1PIM2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3897840-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
EP-3898631-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
EP-3898629-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
EP-3898630-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
EP-3897839-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
WO-2020126953-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
WO-2020126956-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
WO-2020127075-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
WO-2020126952-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
WO-2020126954-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
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