SCHEMBL24802004

SCHEMBL24802004

C[C@H]1CNC(C)(C)CN1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
GAA P10253 1/20 0.41
SIGMAR1 Q99720 4/20 0.40
TMEM97 Q5BJF2 1/20 0.39
ACHE P22303 1/20 0.39
LMNA P02545 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 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
SCHEMBL24801996 1.00 MAPT (0.44) MAPTGAASIGMAR1TMEM97ACHE
SCHEMBL25590797 0.85 SIGMAR1 (0.49) MAPTSIGMAR1TMEM97
SCHEMBL15532630 0.83 KDM4E (0.47) LMNA
SCHEMBL1508976 0.83 MAPT (0.43) MAPTSIGMAR1TMEM97ACHELMNA
SCHEMBL1508882 0.83 MAPT (0.43) MAPTSIGMAR1TMEM97ACHELMNA
SCHEMBL2486957 0.83 MAPT (0.43) MAPTSIGMAR1TMEM97ACHELMNA
SCHEMBL4391046 0.76 MAPT (0.47) MAPTGAASIGMAR1TMEM97ACHE
SCHEMBL21057421 0.73 MAPT (0.45) MAPTGAASIGMAR1TMEM97ACHE
SCHEMBL6741206 0.72 MAPT (0.68) MAPTSIGMAR1ACHE
SCHEMBL4048121 0.72 MAPT (0.68) MAPTSIGMAR1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4359081-A1 PYRAZOLYL DERIVATIVES AS INHIBITORS OF THE KRAS MUTANT PROTEIN Novartis AG (CH) 2024-05-01 EP disclosed
WO-2022269508-A1 PYRAZOLYL DERIVATIVES AS INHIBITORS OF THE KRAS MUTANT PROTEIN NOVARTIS AG (CH) 2022-12-29 WO disclosed
WO-2022269508-A1 PYRAZOLYL DERIVATIVES AS INHIBITORS OF THE KRAS MUTANT PROTEIN NOVARTIS AG (CH) 2022-12-29 WO disclosed