SCHEMBL6869437

SCHEMBL6869437

Nc1cc(C(=O)NCc2ccccc2Br)cc2nc(-c3ccc[nH]3)nn12

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
PRNP P04156 1/20 0.41
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
ADORA2A P29274 7/20 0.38
P2RX7 Q99572 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
SCHEMBL6867645 0.89 POLB (0.49) KMT2AMAPTALDH1A1LMNA
SCHEMBL6870074 0.86 KMT2A (0.48) KMT2APRNPMAPTALDH1A1LMNA
SCHEMBL6863761 0.86 HPGD (0.46) MAPTALDH1A1LMNA
SCHEMBL6869214 0.83 KMT2A (0.46) KMT2APRNPMAPTALDH1A1LMNA
SCHEMBL6872074 0.83 ADORA2A (0.56) KMT2APRNPMAPTALDH1A1LMNA
SCHEMBL6871512 0.82 KMT2A (0.49) KMT2APRNPMAPTALDH1A1LMNA
SCHEMBL6873046 0.82 ADORA2A (0.56) KMT2APRNPMAPTALDH1A1LMNA
SCHEMBL6871219 0.82 ADORA2A (0.56) KMT2AADORA2A
SCHEMBL6870679 0.82 ADORA2A (0.59) KMT2AALDH1A1LMNAADORA2A
SCHEMBL6867473 0.81 KMT2A (0.43) KMT2APRNPMAPTALDH1A1LMNA

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
EP-1347974-B1 AMINOTRIAZOLOPYRIDIINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2004-11-03 EP disclosed