SCHEMBL8213853

SCHEMBL8213853

CS(=O)(=O)Cc1cc(N)nc(-c2cccc(N)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
PIK3CA P42336 6/20 0.46
PIK3CD O00329 4/20 0.46
MTOR P42345 4/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 3/20 0.45
MAPT P10636 3/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.45
HPGD P15428 2/20 0.45
CYP3A4 P08684 1/20 0.41
ATR Q13535 3/20 0.40
GLA P06280 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
ATAD2 Q6PL18 1/20 0.38
ADORA2A P29274 1/20 0.38

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
SCHEMBL11925421 0.84 POLB (0.48) POLBPIK3CAPIK3CDMTORALDH1A1
SCHEMBL8102170 0.80 CA2 (0.49) POLBPIK3CAPIK3CDALDH1A1MEN1
SCHEMBL11926034 0.79 ALDH1A1 (0.43) POLBPIK3CAPIK3CDMTORALDH1A1
SCHEMBL11925324 0.77 PIK3CA (0.42) POLBPIK3CAPIK3CDMTORMEN1
SCHEMBL8206492 0.76 KDM4E (0.44) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL7920061 0.76 PIK3CA (0.47) POLBPIK3CAPIK3CDMTORALDH1A1
SCHEMBL8217414 0.74 MTOR (0.52) POLBPIK3CAPIK3CDMTORALDH1A1
SCHEMBL3061831 0.73 PIK3CA (0.81) PIK3CAPIK3CDMTORATR
SCHEMBL8096450 0.73 KMT2A (0.53) PIK3CAPIK3CDMTORMEN1MAPT
SCHEMBL8205071 0.72 PIK3CA (0.54) POLBPIK3CAPIK3CDMTORALDH1A1

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