SCHEMBL4830005

SCHEMBL4830005

CCOC(OCC)C(C#N)C=O.[KH]

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
SCHEMBL4075633 0.98 THRB (0.31)
Potassium SCHEMBL29519191 0.96
SCHEMBL18775436 0.79 LMNA (0.33)
SCHEMBL15910483 0.73
SCHEMBL4485232 0.71
SCHEMBL10445030 0.71
SCHEMBL10806666 0.67 THRB (0.38)
SCHEMBL21790201 0.67 THRB (0.38)
SCHEMBL8041239 0.67 LMNA (0.50)
SCHEMBL8040302 0.66 LMNA (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3820872-B1 PYRROLO[1,2-B] PYRIDAZINE DERIVATIVES GILEAD SCIENCES INC (US) 2024-05-29 EP disclosed
CN-112566697-B Pyrrolo [1,2-b ] pyridazine derivatives as IRAK4 inhibitors 吉利德科学公司 2024-04-16 CN disclosed
CN-112566915-B Thiadiazole IRAK4 inhibitors 吉利德科学公司 2024-04-09 CN disclosed
US-20240109881-A1 Heteroaryl Compounds as Ligand Directed Degraders of IRAK4 BRISTOL-MYERS SQUIBB COMPANY (US) 2024-04-04 US disclosed
CN-117683034-A Pyrrolo [1,2-B ] pyridazine derivatives 吉利德科学公司 2024-03-12 CN disclosed
EP-3583105-B1 PYRROLO [1,2-B]PYRIDAZINE DERIVATIVES GILEAD SCIENCES INC (US) 2024-02-07 EP disclosed
WO-2024020084-A1 HETEROARYL COMPOUNDS AS LIGAND DIRECTED DEGRADERS OF IRAK4 BRISTOL-MYERS SQUIBB COMPANY (US) 2024-01-25 WO disclosed
CN-112533924-B Pyrrolo [1,2-b ] pyridazine derivatives as IRAK4 inhibitors 吉利德科学公司 2023-11-28 CN disclosed
CN-112513044-B Pyrrolo [1,2-B ] pyridazine derivatives 吉利德科学公司 2023-11-07 CN disclosed
US-20230257386-A1 PYRROLO[1,2-b]PYRIDAZINE DERIVATIVES GILEAD SCIENCES, INC. 2023-08-17 US disclosed
US-20030144307-A1 7-oxo-pyridopyrimidines (II) ARZENO HUMBERTO BARTOLOME (US) 2003-07-31 US disclosed
EP-1315726-A1 7- OXO PYRIDOPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION F. HOFFMANN-LA ROCHE AG (CH) 2003-06-04 EP disclosed
EP-1315727-A2 7-OXO PYRIDOPYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 2003-06-04 EP disclosed
US-6518276-B2 Treating a p38 mediated disorders SYNTEX (U.S.A.) LLC 2003-02-11 US disclosed
US-6506749-B2 Mitogen-activated protein kinases inhibitors SYNTEX (U.S.A.) LLC 2003-01-14 US disclosed
US-20020137756-A1 Mitogen-activated protein kinases inhibitors SYNTEX (U.S.A.) LLC 2002-09-26 US disclosed
WO-2002064594-A2 6-SUBSTITUTED PYRIDO-PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 2002-08-22 WO disclosed
US-20020055513-A1 7-oxo-pyridopyrimidines (II) SYNTEX (U.S.A.) LLC 2002-05-09 US disclosed
WO-2002018379-A2 7-OXO PYRIDOPYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 2002-03-07 WO disclosed
WO-2002018380-A1 7-OXO PYRIDOPYRIMIDINES AS INHIBITORS OF A CELLULAR PROLIFERATION F. HOFFMANN-LA ROCHE AG (CH) 2002-03-07 WO disclosed