SCHEMBL2222333

SCHEMBL2222333

CC(C)(C)OC(=O)O[C@H]1CCCN1C(=O)/C=C/c1ccc(-c2nc3cnc(Oc4ccccc4F)nc3o2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GCK P35557 1/20 0.32
BTK Q06187 3/20 0.32
APP P05067 1/20 0.31
GRIN2B Q13224 1/20 0.31
MAPK14 Q16539 1/20 0.31
GPR119 Q8TDV5 2/20 0.30
CYP3A4 P08684 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
EGFR P00533 1/20 0.30
TEC P42680 1/20 0.30
ITK Q08881 1/20 0.30
ACACB O00763 1/20 0.30

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
SCHEMBL2222697 0.90 HRH3 (0.37) HRH3MEN1ALDH1A1LMNATSHR
SCHEMBL14777421 0.89 ROCK2 (0.35) HRH3MEN1ALDH1A1LMNATSHR
SCHEMBL14777420 0.89 ROCK2 (0.35) HRH3MEN1ALDH1A1LMNATSHR
SCHEMBL14777422 0.89 ROCK2 (0.35) HRH3MEN1ALDH1A1LMNATSHR
SCHEMBL14777609 0.84 HRH3 (0.38) HRH3BTKAPPCYP3A4S1PR1
SCHEMBL2222693 0.84 HRH3 (0.38) HRH3BTKAPPCYP3A4S1PR1
SCHEMBL14777610 0.84 HRH3 (0.38) HRH3BTKAPPCYP3A4S1PR1
SCHEMBL15310101 0.82 S1PR1 (0.37) MEN1ALDH1A1LMNAKMT2AGCK
SCHEMBL14777130 0.82 MAPT (0.36) LMNAKMT2ATP53MAPTS1PR1
SCHEMBL14777133 0.82 MAPT (0.36) LMNAKMT2ATP53MAPTS1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2523960-B1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES HAVING A 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI SA (FR) 2013-10-16 EP disclosed
EP-2523960-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES HAVING A 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI (FR) 2012-11-21 EP disclosed
WO-2011086080-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES HAVING A 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI-AVENTIS (FR) 2011-07-21 WO disclosed