SCHEMBL24735684

SCHEMBL24735684

CC(N)c1cn(C)c2cccc(NC(=O)OC(C)(C)C)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.39
ABL1 P00519 2/20 0.39
EGFR P00533 2/20 0.39
KDR P35968 2/20 0.39
PIK3CA P42336 2/20 0.39
PIK3CG P48736 2/20 0.39
PRKDC P78527 2/20 0.39
BACE1 P56817 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
CNR2 P34972 1/20 0.38
BRD9 Q9H8M2 1/20 0.38
HCK P08631 1/20 0.37
SRC P12931 1/20 0.37
PIK3CB P42338 1/20 0.37
MTOR P42345 1/20 0.37
EPHB4 P54760 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
GPR139 Q6DWJ6 1/20 0.36
METAP1 P53582 1/20 0.34
BRD4 O60885 2/20 0.34

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
SCHEMBL20905336 0.81 P2RX7 (0.42) CNR2BRD9RXFP1METAP1BRD4
SCHEMBL24735685 0.80 RXFP1 (0.43) CNR2BRD9RXFP1GPR139METAP1
SCHEMBL24735686 0.76 RXFP1 (0.38) CNR2BRD9RXFP1GPR139METAP1
SCHEMBL31166853 0.75 RXFP1 (0.43) BRD9RXFP1GPR139METAP1IDO1
SCHEMBL18254251 0.72 NR4A2 (0.49) CNR2LMNAPOLB
SCHEMBL25752496 0.70 CNR2 (0.38) CNR2RXFP1
SCHEMBL20905335 0.70 CNR2 (0.44) CNR2BRD9RXFP1BRD4P2RX7
SCHEMBL25750429 0.70 ELANE (0.38) PIK3CDABL1EGFRKDRPIK3CA
SCHEMBL20612905 0.70 NLRP3 (0.42) PIK3CDABL1EGFRKDRPIK3CA
SCHEMBL25670291 0.69 CNR2 (0.39) PIK3CDABL1EGFRKDRPIK3CA

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-2022258057-A1 COMPOUNDS AS ANTICANCER AGENTS JINGRUI BIOPHARMA CO., LTD. (CN) 2022-12-15 WO disclosed