SCHEMBL24669481

SCHEMBL24669481

CC(C)(C)OC(=O)N1CC=C(c2ccc(N)c(F)c2F)CC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.55
GRM1 Q13255 11/20 0.53
GRM5 P41594 10/20 0.53
HTR6 P50406 1/20 0.48
NAMPT P43490 1/20 0.47
JAK1 P23458 1/20 0.46
BTK Q06187 1/20 0.45
CNR1 P21554 1/20 0.44
CCNT1 O60563 1/20 0.44
CDK9 P50750 1/20 0.44
TNK2 Q07912 1/20 0.43

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
SCHEMBL26130710 0.86 PDK4 (0.55) PDK4GRM1GRM5HTR6NAMPT
SCHEMBL1806361 0.84 PDK4 (0.61) PDK4GRM1GRM5HTR6NAMPT
SCHEMBL29744751 0.83 PDK4 (0.54) PDK4GRM1GRM5HTR6NAMPT
SCHEMBL6402391 0.83 PDK4 (0.54) PDK4GRM1GRM5HTR6NAMPT
SCHEMBL30061046 0.82 PDK4 (0.68) PDK4GRM1GRM5HTR6NAMPT
SCHEMBL83700 0.82 PDK4 (0.68) PDK4GRM1GRM5HTR6NAMPT
SCHEMBL21245869 0.82 PDK4 (0.53) PDK4GRM1GRM5HTR6NAMPT
SCHEMBL29405638 0.82 PDK4 (0.53) PDK4GRM1GRM5HTR6NAMPT
SCHEMBL29197065 0.81 PDK4 (0.53) PDK4GRM1GRM5HTR6NAMPT
SCHEMBL17393489 0.81 PDK4 (0.53) PDK4GRM1GRM5HTR6NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117940133-A Therapeutic agents for degradation of mutant BRAF C4医药公司 2024-04-26 CN disclosed
EP-4351583-A1 THERAPEUTICS FOR THE DEGRADATION OF MUTANT BRAF C4 Therapeutics, Inc. (US) 2024-04-17 EP disclosed
WO-2022261250-A1 THERAPEUTICS FOR THE DEGRADATION OF MUTANT BRAF C4 THERAPEUTICS, INC. (US) 2022-12-15 WO disclosed
WO-2022192162-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2022-09-15 WO disclosed