SCHEMBL25752829

SCHEMBL25752829

Cc1cc(-n2ccc3c(c(NC(=O)OC(C)(C)C)cn3CCC(C)C)c2=O)nn1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.35
GPR139 Q6DWJ6 1/20 0.34
P2RX3 P56373 1/20 0.34
BRD9 Q9H8M2 1/20 0.33
PTGER1 P34995 1/20 0.33
AAK1 Q2M2I8 3/20 0.33
P2RX7 Q99572 1/20 0.33
BRD4 O60885 2/20 0.33
PIK3CD O00329 1/20 0.32
ABL1 P00519 1/20 0.32
EGFR P00533 1/20 0.32
KDR P35968 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CG P48736 1/20 0.32
BACE1 P56817 1/20 0.32
PRKDC P78527 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
MAPK14 Q16539 1/20 0.31
ELANE P08246 1/20 0.30
CTRB1 P17538 1/20 0.30

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
SCHEMBL30895155 0.86 BRD9 (0.37) CNR2GPR139BRD9BRD4PIK3CD
SCHEMBL16812315 0.76 TYK2 (0.44) CNR2GPR139BRD9AAK1P2RX7
SCHEMBL27199565 0.73 TYK2 (0.35) LMNAKMT2A
SCHEMBL30895087 0.71 BRD9 (0.35) CNR2GPR139BRD9P2RX7BRD4
SCHEMBL25756040 0.68 CNR2 (0.42) CNR2P2RX7ELANEMEN1KMT2A
SCHEMBL25670769 0.66 CNR2 (0.42) CNR2GPR139P2RX3P2RX7BRD4
SCHEMBL25750429 0.66 ELANE (0.38) CNR2GPR139P2RX3BRD9P2RX7
SCHEMBL25670291 0.66 CNR2 (0.39) CNR2GPR139BRD9P2RX7BRD4
SCHEMBL25756752 0.65 CNR2 (0.40) CNR2P2RX3P2RX7BRD4BACE1
SCHEMBL30895122 0.65 GSK3B (0.40) CNR2BRD9BRD4PIK3CDABL1

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-2023109954-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2023-06-22 WO disclosed