SCHEMBL8204574

SCHEMBL8204574

C[S+]([O-])C(C)(C)c1cc(N)nc(-c2ccc(NC(N)=O)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.43
MEN1 O00255 5/20 0.39
HPGD P15428 5/20 0.39
KMT2A Q03164 5/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 4/20 0.39
KDM4E B2RXH2 3/20 0.39
RXFP1 Q9HBX9 2/20 0.39
NPSR1 Q6W5P4 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTK2 Q05397 1/20 0.36
MTOR P42345 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
GLA P06280 1/20 0.35
PEPD P12955 1/20 0.34
HSD11B1 P28845 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL11926845 0.85 F7 (0.38) MEN1HPGDKMT2AALDH1A1MAPT
SCHEMBL11925701 0.84 PIK3CA (0.41) ALDH1A1KDM4EPTK2MTORCA1
SCHEMBL11925409 0.84 GHSR (0.45) MEN1KMT2AMAPTCYP2C19MTOR
SCHEMBL8214265 0.83 KDR (0.42) PTK2MTORLMNA
SCHEMBL8204518 0.82 PIK3CA (0.46) MTOR
SCHEMBL8212643 0.82 ALDH1A1 (0.42) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL11925375 0.80 FPR2 (0.45) KIF11MEN1HPGDKMT2AALDH1A1
SCHEMBL8211538 0.80 KIF11 (0.44) KIF11MEN1HPGDKMT2AALDH1A1
SCHEMBL8217031 0.80 KIF11 (0.44) KIF11MEN1HPGDKMT2AALDH1A1
SCHEMBL8206578 0.80 PIK3CD (0.46) KIF11MEN1HPGDKMT2AALDH1A1

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