SCHEMBL1755698

SCHEMBL1755698

CNC(=S)Nc1ccc(-c2nc(N)cc(C(C)(C)O)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 6/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 2/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 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
SCHEMBL8097366 0.85 PIK3CD (0.47) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL8095121 0.79 PIK3CD (0.43) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL740070 0.73 PIK3CA (0.64) PIK3CA
SCHEMBL8091234 0.73 ALDH1A1 (0.39) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL8204669 0.71 KMT2A (0.45) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL8214220 0.71 PIK3CA (0.48) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL8099045 0.70 MAPT (0.39) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL8095008 0.69 CA1 (0.53) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL1755671 0.69 ALDH1A1 (0.39) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL8083334 0.69 CA1 (0.41) ALDH1A1L3MBTL1MEN1KMT2ALMNA

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-2176238-B1 MORPHOLINO PYRIMIDINE DERIVATIVES USED IN DISEASES LINKED TO MTOR KINASE AND/OR PI3K ASTRAZENECA AB (SE) 2012-04-18 EP disclosed
WO-2009007750-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USED IN DISEASES LINKED TO MTOR KINASE AND/OR PI3K ASTRAZENECA AB (SE) 2009-01-15 WO disclosed