SCHEMBL30907161

SCHEMBL30907161

CN(C(=O)OC(C)(C)C)c1cc2cnc(Cl)cc2cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 1/20 0.35
PAX8 Q06710 1/20 0.34
GRM5 P41594 1/20 0.34
P2RX3 P56373 1/20 0.33
STK17B O94768 1/20 0.33
STK17A Q9UEE5 1/20 0.33
CKS1B P61024 1/20 0.32
SKP1 P63208 1/20 0.32
SKP2 Q13309 1/20 0.32
GPBAR1 Q8TDU6 3/20 0.32
CCR9 P51686 2/20 0.32
KAT6A Q92794 1/20 0.32
KAT5 Q92993 1/20 0.32
KAT8 Q9H7Z6 1/20 0.32
SYK P43405 1/20 0.32
AURKA O14965 1/20 0.31
CDK2 P24941 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL3592339 0.84 GRM5 (0.36) PAX8GRM5P2RX3KAT6AKAT5
SCHEMBL30907180 0.83 SYK (0.34) P2RX3STK17BSTK17ACKS1BSKP1
SCHEMBL30907219 0.83 PAX8 (0.42) TTKPAX8GRM5P2RX3CCR9
SCHEMBL16978804 0.82 TTK (0.53) TTKPAX8SYKAAK1
SCHEMBL3633134 0.82 PAX8 (0.43) TTKPAX8CKS1BSKP1SKP2
SCHEMBL23535828 0.79 KDM4E (0.41) TTKPAX8GPBAR1
SCHEMBL31504563 0.79 KDM4E (0.41) TTKPAX8GPBAR1
SCHEMBL31649564 0.78 TTK (0.35) TTKPAX8
SCHEMBL30041261 0.78 TTK (0.37) TTKPAX8USP30
SCHEMBL23535704 0.78 TTK (0.37) TTKPAX8USP30

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-2024097953-A1 NAPHTHYRIDINE COMPOUNDS FOR INHIBITION OF RAF KINASES ENLIVEN INC. (US) 2024-05-10 WO disclosed