SCHEMBL20516752

SCHEMBL20516752

CCOC(OCC)C(=N)NCc1ccc(I)c(Br)c1Cl

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL30600706 1.00
SCHEMBL21860264 0.86
SCHEMBL20517089 0.85 P2RX7 (0.33)
SCHEMBL28613972 0.79 GPR35 (0.31)
SCHEMBL30600788 0.79 RIPK1 (0.35)
SCHEMBL20517454 0.79 RIPK1 (0.35)
SCHEMBL21634892 0.77
SCHEMBL2554374 0.76 TSHR (0.39)
SCHEMBL21872686 0.75 P2RX7 (0.36)
SCHEMBL2552891 0.74 HTR2A (0.38)

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3826722-B1 ISOQUINOLINE COMPOUNDS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2026-02-18 EP disclosed
US-12473301-B2 Isoquinoline compounds for the treatment of cancer GENENTECH, INC. (US) 2025-11-18 US disclosed
US-12378249-B2 Isoquinoline compounds and uses thereof GENENTECH, INC. (US) 2025-08-05 US disclosed
EP-3860995-B1 ISOQUINOLINE COMPOUNDS FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2025-04-16 EP disclosed
CN-117024411-A Isoquinoline as HPK1 inhibitor 豪夫迈·罗氏有限公司 2023-11-10 CN disclosed
CN-110709392-B Isoquinoline as HPK1 inhibitor 豪夫迈·罗氏有限公司 2023-09-29 CN disclosed
US-11612606-B2 8-aminoisoquinoline compounds and uses thereof GENENTECH, INC. (US) 2023-03-28 US disclosed
US-11566003-B2 Isoquinolines as inhibitors of HPK1 GENENTECH, INC. (US) 2023-01-31 US disclosed
EP-3601259-B1 ISOQUINOLINES AS INHIBITORS OF HPK1 HOFFMANN LA ROCHE (CH) 2022-02-23 EP disclosed
CN-113574056-A Isoquinoline compounds for the treatment of cancer 豪夫迈·罗氏有限公司 2021-10-29 CN disclosed
EP-3826722-A1 ISOQUINOLINE COMPOUNDS AND USES THEREOF F. Hoffmann-La Roche AG (CH) 2021-06-02 EP disclosed
CN-112601584-A Isoquinoline compounds and uses thereof 豪夫迈·罗氏有限公司 2021-04-02 CN disclosed
WO-2020072695-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-04-09 WO disclosed
WO-2020072627-A1 ISOQUINOLINE COMPOUNDS FOR THE TREATMENT OF CANCER GENENTECH, INC. (US) 2020-04-09 WO disclosed
US-20200108075-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-04-09 US disclosed
EP-3601259-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 H. Hoffnabb-La Roche Ag (CH) 2020-02-05 EP disclosed
WO-2020023560-A1 ISOQUINOLINE COMPOUNDS AND USES THEREOF F. HOFFMANN-LA ROCHE AG 2020-01-30 WO disclosed
CN-110709392-A Isoquinoline as HPK1 inhibitors 豪夫迈·罗氏有限公司 2020-01-17 CN disclosed
US-20180282282-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 GENENTECH, INC. (US) 2018-10-04 US disclosed
WO-2018183964-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 GENENTECH, INC. (US) 2018-10-04 WO disclosed