SCHEMBL25835485

SCHEMBL25835485

COc1ccn2c(=O)[nH]nc2c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
ADORA3 P0DMS8 4/20 0.46
NOTUM Q6P988 2/20 0.44
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
CHEK1 O14757 1/20 0.42
GSK3A P49840 3/20 0.40
GSK3B P49841 3/20 0.40
MTNR1B P49286 1/20 0.39
GPR139 Q6DWJ6 2/20 0.38
CYP2C9 P11712 1/20 0.38
SCN5A Q14524 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ADORA1 P30542 1/20 0.36

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
SCHEMBL12090712 0.77 KDM4E (0.50) NOTUMPRMT5WDR77CHEK1ALDH1A1
SCHEMBL20772757 0.74 PARP1 (0.42) NOTUMPRMT5WDR77CHEK1GSK3A
SCHEMBL16439323 0.74 CHEK1 (0.45) NOTUMCHEK1SCN5A
SCHEMBL22597503 0.73 NOTUM (0.37) NOTUMCHEK1SCN5AALDH1A1KDM4E
SCHEMBL21025997 0.73 TDP1 (0.43) NOTUMPRMT5WDR77CHEK1GSK3A
SCHEMBL22006722 0.73 ADORA3 (0.42) ADORA3ADORA1
SCHEMBL25835486 0.71 GPR139 (0.46) ADORA3GPR139ADORA1
SCHEMBL25338944 0.70 LTK (0.33) NOTUMCHEK1SCN5A
SCHEMBL23057535 0.70 CYP1A2 (0.44) CYP1A2NOTUMSCN5AGAA
SCHEMBL20772415 0.70 NOTUM (0.37) NOTUMPRMT5WDR77CHEK1SCN5A

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-2023137356-A1 15-PGDH INHIBITORS VENTYX BIOSCIENCES, INC. (US) 2023-07-20 WO disclosed