SCHEMBL17896286

SCHEMBL17896286

O=C(O)Cc1ncnc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
ADORA3 P0DMS8 1/20 0.46
LMNA P02545 2/20 0.46
ADORA2A P29274 1/20 0.46
ALDH1A1 P00352 2/20 0.44
PI4KA P42356 1/20 0.44
PI4K2B Q8TCG2 1/20 0.44
PI4K2A Q9BTU6 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
BCAT2 O15382 1/20 0.43
RAB9A P51151 2/20 0.42
EGFR P00533 2/20 0.42
NPC1 O15118 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL11581346 0.78 SMN1; SMN2 (0.53) KDM4EGAAKMT2ALMNAALDH1A1
SCHEMBL10751781 0.77 PI4KA (0.50) KDM4EGAAKMT2ALMNAADORA2A
SCHEMBL14564418 0.77 MAPT (0.52) KDM4EGAAKMT2ALMNAALDH1A1
SCHEMBL10510446 0.75 PI4KA (0.44) KDM4EGAAKMT2AADORA3LMNA
SCHEMBL1108399 0.74 EGFR (0.53) LMNAADORA2AALDH1A1PI4KAPI4K2B
SCHEMBL2614518 0.73 PI4KA (0.50) GAAKMT2ALMNAADORA2AALDH1A1
SCHEMBL160405 0.73 PI4KA (0.55) GAAKMT2ALMNAADORA2AALDH1A1
SCHEMBL3822880 0.73 PI4KA (0.50) GAAKMT2ALMNAADORA2AALDH1A1
SCHEMBL11728330 0.73 PI4KA (0.55) GAAKMT2ALMNAADORA2AALDH1A1
SCHEMBL5456634 0.73 CYP1A2 (0.67) KDM4EKMT2ALMNAALDH1A1TDP1

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-2016109360-A1 DIHYDROQUINAZOLINE INHIBITORS OF VIRAL TERMINASE AUSPEX PHARMACEUTICALS, INC. (US) 2016-07-07 WO disclosed