SCHEMBL12499651

SCHEMBL12499651

O=C1NCC2CNCCC12

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
SCHEMBL24510486 1.00
SCHEMBL13986819 1.00
SCHEMBL24510485 1.00
SCHEMBL24509726 1.00
Hydrochloric Acid SCHEMBL4806967 0.98
Hydrochloric Acid SCHEMBL4806973 0.98
SCHEMBL655503 0.88 SLC6A1 (0.35)
SCHEMBL16042628 0.85
Trifluoroacetic Acid SCHEMBL28778749 0.85 PRCP (0.35)
Trifluoroacetic Acid SCHEMBL28778637 0.85 PRCP (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250230172-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2025-07-17 US disclosed
EP-4416152-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF Vanqua Bio, Inc. (US) 2024-08-21 EP disclosed
EP-4262803-A1 TETRAHYDROPYRIDOPYRIMIDINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2023-10-25 EP disclosed
CN-115003673-B Dihydropyrimidine compound, preparation method and application thereof 上海维申医药有限公司 2023-08-11 CN disclosed
WO-2023064345-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2023-04-20 WO disclosed
WO-2022133038-A1 TETRAHYDROPYRIDOPYRIMIDINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2022-06-23 WO disclosed
US-20210128555-A1 CDK4/6 INHIBITORS AND USE THEREOF BEIJING XUANYI PHARMASCIENCES CO., LTD. (CN) 2021-05-06 US disclosed
US-9481670-B2 Triazine compounds SPHAERA PHARMA PTE. LTD. (SG) 2016-11-01 US disclosed
US-9481670-B2 Triazine compounds SPHAERA PHARMA PTE. LTD. (SG) 2016-11-01 US disclosed
US-8846684-B2 Arbovirus inhibitors and uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-09-30 US disclosed
US-8846684-B2 Arbovirus inhibitors and uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-09-30 US disclosed
US-8846684-B2 Arbovirus inhibitors and uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-09-30 US disclosed
US-20130303516-A1 NOVEL TRIAZINE COMPOUNDS SPHAERA PHARMA PTE. LTD. (SG) 2013-11-14 US disclosed
US-20130303516-A1 NOVEL TRIAZINE COMPOUNDS SPHAERA PHARMA PTE. LTD. (SG) 2013-11-14 US disclosed
WO-2012170098-A2 ARBOVIRUS INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-12-13 WO disclosed
WO-2012170098-A2 ARBOVIRUS INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-12-13 WO disclosed
US-20120252807-A1 ARBOVIRUS INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-10-04 US disclosed
US-20120252807-A1 ARBOVIRUS INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-10-04 US disclosed
US-20120252807-A1 ARBOVIRUS INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-10-04 US disclosed
WO-2012101654-A2 NOVEL TRIAZINE COMPOUNDS SPHAERA PHARMA PVT. LTD (IN) 2012-08-02 WO disclosed