SCHEMBL4444056

SCHEMBL4444056

OC1(C(F)(F)F)CCCNC1

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
Hydrochloric Acid SCHEMBL16540756 0.98
SCHEMBL18019794 0.86
SCHEMBL512186 0.86
SCHEMBL18019791 0.86
Ammonia Solution, Strong SCHEMBL17713184 0.84
Hydrochloric Acid SCHEMBL15776663 0.84
SCHEMBL31470338 0.82
Tert-Butyl Formate SCHEMBL27914132 0.80 TDP1 (0.38)
SCHEMBL4018196 0.75
Hydrochloric Acid SCHEMBL1367812 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119998275-A KRAS inhibitors 百时美施贵宝公司 2025-05-13 CN claimed
CN-117881397-A Heterocyclic compounds and methods of use 安进公司 2024-04-12 CN claimed
US-12398154-B2 Azaquinazoline pan-KRas inhibitors Mirati Therapeutics, Inc. (US) 2025-08-26 US disclosed
CN-119998275-A KRAS inhibitors 百时美施贵宝公司 2025-05-13 CN disclosed
US-20250034167-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2025-01-30 US disclosed
US-20240199584-A1 KRAS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2024-06-20 US disclosed
US-11999753-B2 Tetrahydropyridopyrimidine pan-KRas inhibitors Mirati Therapeutics, Inc. (US) 2024-06-04 US disclosed
CN-117881397-A Heterocyclic compounds and methods of use 安进公司 2024-04-12 CN disclosed
US-20230348376-A1 VITAMIN D DERIVATIVE HAVING CYCLIC AMINE IN SIDE CHAIN TEIJIN PHARMA LIMITED (JP) 2023-11-02 US disclosed
EP-4262807-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2023-10-25 EP disclosed
WO-2023171736-A1 MEDICINE CONTAINING VITAMIN D DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT OR SOLVATE THEREOF, USED IN COMBINATION WITH IMMUNOMODULATORY SUBSTANCE 帝人ファーマ株式会社 2023-09-14 WO disclosed
EP-2132177-B1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2013-07-17 EP disclosed
EP-2132177-B1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2013-07-17 EP disclosed
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-16 US disclosed
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-16 US disclosed
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-16 US disclosed
CN-101679266-A PIM kinase inhibitors and methods of their use NOVARTIS AG 2010-03-24 CN disclosed
EP-2132177-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE Novartis Ag (CH) 2009-12-16 EP disclosed
WO-2008106692-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-04 WO disclosed
WO-2008106692-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-04 WO disclosed