SCHEMBL7334935

SCHEMBL7334935

c1coc(-c2nc3nn[nH]c3c3ncnn23)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 13/20 0.40
▸ ALDH1A1 P00352 12/20 0.40
▸ RCE1 Q9Y256 1/20 0.40
▸ ADORA3 P0DMS8 5/20 0.38
▸ ADORA2A P29274 5/20 0.38
▸ ADORA2B P29275 5/20 0.38
▸ ADORA1 P30542 5/20 0.38
▸ HPGD P15428 10/20 0.37
▸ GAA P10253 8/20 0.37
▸ HSD17B10 Q99714 6/20 0.37
▸ CASP1 P29466 4/20 0.37
▸ GLA P06280 4/20 0.37
▸ CASP7 P55210 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ PSMD14 O00487 1/20 0.37
▸ ALOX15 P16050 2/20 0.35

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
SCHEMBL7594709 0.76 KDM4E (0.41) KDM4EALDH1A1RCE1ADORA3ADORA2A
SCHEMBL4044550 0.66 ADORA2A (0.62) KDM4EALDH1A1ADORA3ADORA2AADORA2B
SCHEMBL5653328 0.62 ADORA2A (0.46) KDM4EALDH1A1RCE1ADORA3ADORA2A
SCHEMBL9834157 0.62 TSHR (0.41) KDM4EALDH1A1RCE1ADORA3ADORA2A
SCHEMBL7346473 0.60 MEN1 (0.35) ALDH1A1MEN1KMT2A
SCHEMBL23846017 0.58 LMNA (0.46) KDM4EALDH1A1ADORA3ADORA2AADORA2B
SCHEMBL30507669 0.58 LMNA (0.46) KDM4EALDH1A1ADORA3ADORA2AADORA2B
SCHEMBL25919980 0.58 ADORA2A (0.42) KDM4EALDH1A1RCE1ADORA3ADORA2A
SCHEMBL5103140 0.56 KDM4E (0.51) KDM4EALDH1A1RCE1ADORA3ADORA2A
SCHEMBL23828527 0.56 ALDH1A1 (0.47) KDM4EALDH1A1RCE1ADORA3ADORA2A

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-1995001356-A1 1,2,4-TRIAZOLO[1,5-c]PYRIMIDINE HETEROCYCLIC ANALOGUES HAVING ANTAGONISTIC ACTIVITY ON ADENOSINE A2 RECEPTOR SCHERING-PLOUGH S.P.A. (IT) 1995-01-12 — — WO disclosed
Send feedback