SCHEMBL24176144

SCHEMBL24176144

COCC1CC(F)(F)CN1C

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.38
CASP7 P55210 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL25668039 1.00 CASP3 (0.38) CASP3CASP7
SCHEMBL23205841 1.00 CASP3 (0.38) CASP3CASP7
SCHEMBL25541722 0.82
SCHEMBL25670271 0.82
SCHEMBL25541723 0.82
SCHEMBL23158048 0.82
SCHEMBL24918514 0.82
SCHEMBL24254965 0.82
SCHEMBL25546353 0.82
SCHEMBL25636413 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023133183-A1 KRAS INHIBITORS THERAS, INC. (US) 2023-07-13 WO disclosed
WO-2023133181-A1 KRAS INHIBITORS THERAS, INC. (US) 2023-07-13 WO disclosed
WO-2023004102-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF RAS THERAS, INC. (US) 2023-01-26 WO disclosed
WO-2022109487-A1 SPIROCYCLIC-SUBSTITUTED 6,7-DIHYDRO-PYRANO[2,3-D]PYRIMIDINE INHIBITORS OF KRAS G12C MUTANT MERCK SHARP & DOHME CORP. (US) 2022-05-27 WO disclosed
WO-2022002102-A1 QUINAZOLINE COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2022-01-06 WO disclosed