SCHEMBL21137563

SCHEMBL21137563

Cc1nc2c(N3CCN(C(=O)OC(C)(C)C)CC3)c(N(C)C=O)cnc2c(C)c1Br

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.38
SKP1 P63208 2/20 0.38
SKP2 Q13309 2/20 0.38
KCNH2 Q12809 2/20 0.38
GPR119 Q8TDV5 8/20 0.37
MAP4K4 O95819 1/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTPN11 Q06124 1/20 0.35
TLR9 Q9NR96 1/20 0.34
ACHE P22303 1/20 0.34
MAPK8 P45983 1/20 0.33

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
SCHEMBL21137118 0.83 KCNH2 (0.40) CKS1BSKP1SKP2KCNH2GPR119
SCHEMBL21137536 0.81 KRAS (0.38) CKS1BSKP1SKP2GPR119MAP4K4
SCHEMBL21137486 0.77 NR1H2 (0.37) CKS1BSKP1SKP2KCNH2GPR119
SCHEMBL21137524 0.77 GPR119 (0.38) CKS1BSKP1SKP2KCNH2GPR119
SCHEMBL21100052 0.70 GPR119 (0.39) GPR119
SCHEMBL21137362 0.70 GPR119 (0.36) GPR119
SCHEMBL21136818 0.69 KCNH2 (0.40) CKS1BSKP1SKP2KCNH2GPR119
SCHEMBL21099357 0.69 GPR119 (0.38) GPR119
SCHEMBL30899646 0.66 CKS1B (0.60) CKS1BSKP1SKP2GPR119MAP4K4
SCHEMBL30365856 0.66 CKS1B (0.60) CKS1BSKP1SKP2GPR119MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019110751-A1 TETRACYCLIC COMPOUNDS AS INHIBITORS OF G12C MUTANT RAS PROTEIN, FOR USE AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2019-06-13 WO disclosed