SCHEMBL3245216

SCHEMBL3245216

O=c1[nH]cnc2c1N=[C][N]2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
PARP1 P09874 8/20 0.33
PDPK1 O15530 5/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
BCL2 P10415 1/20 0.33
MCL1 Q07820 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
JAK2 O60674 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
PAK4 O96013 1/20 0.33
ABL1 P00519 1/20 0.33
CSF1R P07333 1/20 0.33
RET P07949 1/20 0.33
IGF1R P08069 1/20 0.33
MET P08581 1/20 0.33
PDGFRB P09619 1/20 0.33
PIM1 P11309 1/20 0.33
FGFR1 P11362 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
SCHEMBL355917 0.65 ALDH1A1 (0.40) ALDH1A1PARP1PDPK1SMN1; SMN2AURKA
SCHEMBL1867923 0.65 ALDH1A1 (0.40) ALDH1A1PARP1PDPK1SMN1; SMN2BCL2
SCHEMBL14793587 0.63 ALDH1A1 (0.38) ALDH1A1PARP1PDPK1SMN1; SMN2PIM1
SCHEMBL14793621 0.63 HPGD (0.38) ALDH1A1PARP1PDPK1SMN1; SMN2PIM1
SCHEMBL4455591 0.63
SCHEMBL24783219 0.60 ALDH1A1 (0.35) ALDH1A1PARP1PDPK1SMN1; SMN2AURKA
SCHEMBL19493860 0.60
SCHEMBL28672687 0.58 ALDH1A1 (0.41) ALDH1A1PARP1PDPK1SMN1; SMN2BCL2
SCHEMBL8468924 0.58 ALDH1A1 (0.41) ALDH1A1PARP1PDPK1SMN1; SMN2BCL2
Hypoxanthine SCHEMBL822613 0.58 TSHR (0.47) ALDH1A1PARP1PDPK1SMN1; SMN2BCL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4097756-A2 UV-CURABLE RESIN COMPOSITIONS SUITABLE FOR REDISTRIBUTION LAYERS Designer Molecules, Inc. (US) 2022-12-07 EP disclosed
WO-2021154898-A2 UV-CURABLE RESIN COMPOSITIONS SUITABLE FOR REDISTRIBUTION LAYERS DESIGNER MOLECULES, INC (US) 2021-08-05 WO disclosed
WO-2020219852-A1 PHENOLIC FUNCTIONALIZED POLYIMIDES AND COMPOSITIONS THEREOF DESIGNER MOLECULES, INC. (US) 2020-10-29 WO disclosed
WO-2020215027-A1 HIGH MOLECULAR WEIGHT FLEXIBLE CURABLE POLYIMIDES DESIGNER MOLECULES, INC. (US) 2020-10-22 WO disclosed
EP-3642262-A1 CURABLE POLYIMIDES Designer Molecules, Inc. (US) 2020-04-29 EP disclosed
WO-2018237377-A1 CURABLE POLYIMIDES DESIGNER MOLECULES, INC (US) 2018-12-27 WO disclosed
EP-3331959-A1 ANIONIC CURABLE COMPOSITIONS Designer Molecules, Inc. (US) 2018-06-13 EP disclosed
WO-2017027482-A1 ANIONIC CURABLE COMPOSITIONS DESIGNER MOLECULES, INC. (US) 2017-02-16 WO disclosed
WO-2010019832-A2 AMIDE-EXTENDED CROSSLINKING COMPOUNDS AND METHODS FOR USE THEREOF DESIGNER MOLECULES, INC. (US) 2010-02-18 WO disclosed
EP-2081893-A2 SUBSTITUTED INDOLES Auspex Pharmaceuticals, Inc. (US) 2009-07-29 EP disclosed
EP-1951643-A1 SUBSTITUTED ARYLOXYPROPYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY Auspex Pharmaceuticals Inc. (US) 2008-08-06 EP disclosed
EP-1948646-A2 SUBSTITUTED PHENYLPIPERIDINES WITH SEROTONINERGIC ACTIVITY AND ENHANCED THERAPEUTIC PROPERTIES Auspex Pharmaceuticals Inc. (US) 2008-07-30 EP disclosed
WO-2008049116-A2 SUBSTITUTED INDOLES AUSPEX PHARMACEUTICALS, INC. (US) 2008-04-24 WO disclosed
WO-2007062119-A1 SUBSTITUTED ARYLOXYPROPYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY AUSPEX PHARMACEUTICALS, INC. (US) 2007-05-31 WO disclosed
WO-2007058998-A2 SUBSTITUTED PHENYLPIPERIDINES WITH SEROTONINERGIC ACTIVITY AND ENHANCED THERAPEUTIC PROPERTIES AUSPEX PHARMACEUTICALS, INC. (US) 2007-05-24 WO disclosed
WO-2006041921-A2 PREPARATION AND USES OF RHODANINE DERIVATIVES AUSPEX PHARMACEUTICALS, INC. (US) 2006-04-20 WO disclosed