SCHEMBL25819006

SCHEMBL25819006

CCCCc1nc2cnc3cc(Br)sc3c2n1CC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 2/20 0.39
FAAH O00519 1/20 0.36
PIK3CA P42336 1/20 0.36
PRKDC P78527 1/20 0.36
RORC P51449 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
GPR119 Q8TDV5 7/20 0.35
PIK3CD O00329 1/20 0.35
MERTK Q12866 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
FPR2 P25090 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 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
SCHEMBL31270623 1.00 GLS (0.39) GLSFAAHPIK3CAPRKDCRORC
SCHEMBL25262168 0.91 ADORA2B (0.41) GLSFAAHPIK3CAPRKDCRORC
SCHEMBL31270748 0.91 ADORA2B (0.41) GLSFAAHPIK3CAPRKDCRORC
SCHEMBL25255536 0.88 TLR7 (0.36)
SCHEMBL31270644 0.86 ADORA2A (0.41) GLSFAAHPIK3CAPRKDCGPR119
SCHEMBL25256593 0.86 ADORA2A (0.41) GLSFAAHPIK3CAPRKDCGPR119
SCHEMBL26664986 0.86 GRIN2B (0.41) FAAHSMN1; SMN2
SCHEMBL25819220 0.85 GLS (0.37) GLSFAAHRORCIDO1TDO2
SCHEMBL25301552 0.85 RORC (0.37) GLSPIK3CAPRKDCRORCGPR119
SCHEMBL25296505 0.84 GLS (0.38) GLSRORCIDO1TDO2MEN1

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-2023125121-A1 TRICYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2023-07-06 WO disclosed