SCHEMBL9667463

SCHEMBL9667463

Nc1nc2c(c(=S)[nH]1)NC=[N+]2

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.31
BLM P54132 1/20 0.31
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
HPGD P15428 1/20 0.30
PTGS1 P23219 1/20 0.30
MAPK3 P27361 1/20 0.30
XDH P47989 1/20 0.30
HBB P68871 1/20 0.30
PAX8 Q06710 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL142923 0.81 CDK1 (0.40) CYP3A4BLMALDH1A1TP53HPGD
SCHEMBL4860847 0.69 CHEK1 (0.36) CYP3A4BLM
SCHEMBL8884479 0.65
SCHEMBL536868 0.65
SCHEMBL536980 0.65 DPP4 (0.34)
SCHEMBL4058597 0.65
SCHEMBL536971 0.60 LRRK2 (0.31) XDH
SCHEMBL6712707 0.60
SCHEMBL17824203 0.59 CDK1 (0.33) ALDH1A1HPGDSMN1; SMN2
SCHEMBL8886045 0.59 CDK1 (0.43)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0374096-B1 COMBINATION THERAPY INVOLVING 2',3'-DIDEOXYPURINE NUCLEOSIDE AND AN INHIBITOR OF PURINE NUCLEOSIDE PHOSPHORYLASE, AND ITS COMPOSITIONS CIBA-GEIGY AG (CH) 1992-12-02 EP disclosed
EP-0374096-A1 Combination therapy involving 2',3'-dideoxypurine nucleoside and an inhibitor of purine nucleoside phosphorylase, and its compositions CIBA-GEIGY AG (CH) 1990-06-20 EP disclosed
US-3935184-A Synthetic polyoxin type nucleosides SYNTEX (U.S.A.) INC. (US) 1976-01-27 US disclosed