SCHEMBL30141144

SCHEMBL30141144

Clc1cccc(CNc2nc(Cl)nc3[nH]cnc23)c1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TMIGD3 P0DMS9 3/20 0.68
HTR2B P41595 3/20 0.68
HTR2C P28335 2/20 0.68
CDC7 O00311 1/20 0.56
DBF4 Q9UBU7 1/20 0.56
GRM4 Q14833 1/20 0.51
PDE2A O00408 1/20 0.50
ADORA3 P0DMS8 6/20 0.48
ADORA2A P29274 3/20 0.48
ADORA1 P30542 3/20 0.48
HTR3A P46098 1/20 0.48
PPARD Q03181 5/20 0.48
YTHDF3 Q7Z739 2/20 0.46
YTHDC1 Q96MU7 2/20 0.46
YTHDF1 Q9BYJ9 2/20 0.46
YTHDF2 Q9Y5A9 2/20 0.46
KMT2A Q03164 1/20 0.46
ADRA2B P18089 1/20 0.46
PPARG P37231 1/20 0.46

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
SCHEMBL19459471 1.00 TMIGD3 (0.68) TMIGD3HTR2BHTR2CCDC7DBF4
SCHEMBL7075104 0.88 TMIGD3 (0.53) TMIGD3HTR2BHTR2CADORA3ADORA2A
SCHEMBL19799154 0.88 TMIGD3 (0.53) TMIGD3HTR2BHTR2CCDC7DBF4
SCHEMBL28455818 0.88 CLK4 (0.54) TMIGD3HTR2BHTR2CCDC7DBF4
SCHEMBL16147071 0.88 APP (0.58) TMIGD3HTR2BHTR2CCDC7DBF4
SCHEMBL16146230 0.88 TMIGD3 (0.56) TMIGD3HTR2BHTR2CCDC7DBF4
SCHEMBL3302062 0.88 TMIGD3 (0.56) TMIGD3HTR2BHTR2CCDC7DBF4
SCHEMBL16146133 0.88 TMIGD3 (0.56) TMIGD3HTR2BHTR2CCDC7DBF4
SCHEMBL1216376 0.87 CDK1 (0.55) TMIGD3HTR2BHTR2C
SCHEMBL15122249 0.84 MEN1 (0.51) TMIGD3HTR2BHTR2CADORA3PPARD

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-2023286963-A1 PHARMACEUTICAL COMPOSITION INCLUDING ADENOSINE DERIVATIVE FOR PREVENTING OR TREATING CHOLANGITIS OR CHOLANGITIS-INDUCED LIVER DISEASE 퓨쳐메디신 주식회사 2023-01-19 WO disclosed