SCHEMBL9936039

SCHEMBL9936039

Brc1cn2c(I)cnc2c(Br)n1

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
SCHEMBL19747465 0.81 ADORA1 (0.37)
SCHEMBL31244494 0.81
SCHEMBL18232238 0.81
SCHEMBL2179685 0.80 AURKA (0.30)
SCHEMBL24714362 0.77
SCHEMBL18343733 0.77
SCHEMBL31291420 0.77
SCHEMBL29952870 0.73 ALDH1A1 (0.32)
Trifluoroacetic Acid SCHEMBL20919416 0.70 ADORA1 (0.33)
SCHEMBL31291481 0.70 ALDH1A1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4719592-A1 BICYCLIC COMPOUNDS FOR KETOHEXOKINASE INHIBITION Centennial Therapeutics, LLC (US) 2026-04-08 EP disclosed
US-12516065-B2 Tertiary alcohols as PI3K-γ inhibitors INCYTE CORPORATION (US) 2026-01-06 US disclosed
WO-2025226846-A1 CDK12 INHIBITORS WITH IMIDAZOLE[1,2-A] PYRAZINES H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2025-10-30 WO disclosed
US-20250243206-A1 CRYSTALLINE FORMS OF A PHOSPHOINOSITIDE 3-KINASE (PI3K) INHIBITOR INCYTE CORPORATION 2025-07-31 US disclosed
CN-120040450-A Crystalline forms of a phosphoinositide 3 kinase (PI 3K) inhibitor 因赛特公司 2025-05-27 CN disclosed
CN-113677683-B Crystalline forms of a phosphoinositide 3 kinase (PI 3K) inhibitor 因赛特公司 2025-01-14 CN disclosed
US-12173006-B2 Crystalline forms of a phosphoinositide 3-kinase (PI3K) inhibitor INCYTE CORPORATION (US) 2024-12-24 US disclosed
WO-2024249612-A1 BICYCLIC COMPOUNDS FOR KETOHEXOKINASE INHIBITION CENTENNIAL THERAPEUTICS, LLC (US) 2024-12-05 WO disclosed
US-20240228498-A1 TERTIARY ALCOHOLS AS PI3K-y INHIBITORS INCYTE CORPORATION 2024-07-11 US disclosed
US-12030885-B2 Substituted imidazo[2,1-f][1,2,4]triazines as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2024-07-09 US disclosed
WO-2012080228-A1 6-THIO-SUBSTITUTED IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-21 WO disclosed
WO-2012080234-A1 SUBSTITUTED 6-IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-21 WO disclosed
WO-2012080230-A1 6 SUBSTITUTED IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-21 WO disclosed
WO-2012080228-A1 6-THIO-SUBSTITUTED IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-21 WO disclosed
WO-2012080234-A1 SUBSTITUTED 6-IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-21 WO disclosed
WO-2012080230-A1 6 SUBSTITUTED IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-21 WO disclosed
WO-2012080229-A1 IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT HYPERPROLIFERATIVE DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-21 WO disclosed
WO-2012080236-A1 6-SUBSTITUTED IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-21 WO disclosed
WO-2011151259-A1 SUBSTITUTED IMIDAZOPYRAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-08 WO disclosed
WO-2011151259-A1 SUBSTITUTED IMIDAZOPYRAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-08 WO disclosed