SCHEMBL8206492

SCHEMBL8206492

C[S+]([O-])Cc1cc(N)nc(-c2cccc(N)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPT P10636 4/20 0.44
HPGD P15428 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 2/20 0.44
GLA P06280 1/20 0.38
ATAD2 Q6PL18 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
MAP4K4 O95819 4/20 0.36
RAB9A P51151 3/20 0.36
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.35
MAOA P21397 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.35
METAP2 P50579 1/20 0.34
PSIP1 O75475 1/20 0.33

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
SCHEMBL11924768 0.84 MEN1 (0.39) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL8213836 0.78 MEN1 (0.38) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL12807332 0.77 ADORA2A (0.36) ADORA2AADORA1
SCHEMBL8213853 0.76 POLB (0.48) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL8214424 0.69 BACE1 (0.40) KDM4EALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL11924667 0.69 PIK3CA (0.47) ALDH1A1MAPTMEN1KMT2AADORA2A
SCHEMBL8221459 0.69 PLK4 (0.45) KDM4EMAP4K4MKNK2
SCHEMBL11925498 0.69 MEN1 (0.45) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL1091668 0.67 KDM4E (0.59) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL31158163 0.67 KDM4E (0.59) KDM4EALDH1A1MAPTHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057140-B1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2012-08-08 EP disclosed
WO-2008023159-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-02-28 WO disclosed