SCHEMBL22123829

SCHEMBL22123829

CCc1cc(Nc2nccn3c(I)cnc23)ccc1C(=O)NCCOCCNC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 4/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ PTK6 Q13882 2/20 0.35
▸ BRAF P15056 2/20 0.34
▸ KDR P35968 2/20 0.33
▸ PIM1 P11309 1/20 0.32
▸ PIM2 Q9P1W9 1/20 0.32
▸ MAPT P10636 3/20 0.32
▸ TP53 P04637 2/20 0.32
▸ MAP4K1 Q92918 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ AAK1 Q2M2I8 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ NR3C1 P04150 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
SCHEMBL28916262 0.92 TTK (0.36) TTKBRD4PTK6KDRMAPT
SCHEMBL22123571 0.91 BRAF (0.41) TTKBRD4PTK6BRAFKDR
SCHEMBL22124311 0.90 BRD4 (0.44) TTKBRD4PTK6
SCHEMBL22123826 0.88 BRD4 (0.35) TTKBRD4PTK6
SCHEMBL25173410 0.88 TTK (0.37) TTKBRD4PTK6
SCHEMBL28916220 0.86 TTK (0.36) TTKBRD4PTK6KDRMAPT
SCHEMBL22123737 0.84 BRD4 (0.47) TTKBRD4PTK6
SCHEMBL22125113 0.84 BRAF (0.41) TTKBRD4PTK6BRAFKDR
SCHEMBL28916287 0.84 ADORA3 (0.39) TTKPTK6MAP4K1POLB
SCHEMBL22123228 0.84 TTK (0.39) TTKBRD4PTK6MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115485279-A Antibacterial 8-phenylamino-3- (pyrazol-4-yl) imidazo [1,2-a ] pyrazine derivatives 豪夫迈·罗氏有限公司 2022-12-16 — — CN disclosed
EP-3897840-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS 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
CN-113226469-A Imidazopyrazine derivatives as antibacterial agents 豪夫迈·罗氏有限公司 2021-08-06 — — CN disclosed
CN-113195496-A Imidazopyrazine derivatives as antibacterial agents 豪夫迈·罗氏有限公司 2021-07-30 — — CN disclosed
CN-113195498-A Novel imidazopyrazine derivatives 豪夫迈·罗氏有限公司 2021-07-30 — — CN disclosed
CN-113195497-A Novel imidazopyrazine derivatives 豪夫迈·罗氏有限公司 2021-07-30 — — CN disclosed
CN-113164771-A Imidazopyrazine derivatives as antibacterial agents 豪夫迈·罗氏有限公司 2021-07-23 — — CN disclosed
WO-2020126956-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
WO-2020127075-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
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