SCHEMBL3935762

SCHEMBL3935762

COCCOCCOc1ccc2c(C3C(=O)Nc4ccc(C#N)cc43)ncnc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.58
PDGFRB P09619 5/20 0.43
ILK Q13418 3/20 0.40
EGFR P00533 2/20 0.39
ALK Q9UM73 6/20 0.39
IRAK4 Q9NWZ3 2/20 0.37
KDR P35968 3/20 0.36
FGFR1 P11362 2/20 0.36
FLT1 P17948 2/20 0.36
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
CSF1R P07333 1/20 0.36
RET P07949 1/20 0.36
LTK P29376 1/20 0.36
GRK5 P34947 1/20 0.36
MAP2K2 P36507 1/20 0.36
FLT3 P36888 1/20 0.36
MAPK8 P45983 1/20 0.36

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
SCHEMBL3942219 0.97 CHEK1 (0.60) CHEK1PDGFRBILKEGFRALK
SCHEMBL5255729 0.86 CHEK1 (0.43) CHEK1PDGFRBALKIRAK4KDR
Hydrochloric Acid SCHEMBL4498721 0.86 KDR (0.46) CHEK1PDGFRBILKEGFRKDR
SCHEMBL6594476 0.85 CHEK1 (0.79) CHEK1PDGFRBILKALKIRAK4
Hydrochloric Acid SCHEMBL4513516 0.84 CHEK1 (0.47) CHEK1PDGFRBILKEGFRKDR
SCHEMBL4518666 0.84 PDGFRB (0.46) CHEK1PDGFRBEGFRKDRFGFR1
Hydrochloric Acid SCHEMBL4503506 0.84 CHEK1 (0.78) CHEK1PDGFRBILKALKIRAK4
SCHEMBL4680526 0.84 CHEK1 (0.56) CHEK1PDGFRBALKIRAK4KDR
Hydrochloric Acid SCHEMBL7206364 0.83 CHEK1 (0.46) CHEK1PDGFRBEGFRKDRFGFR1
SCHEMBL4680520 0.83 CHEK1 (0.55) CHEK1PDGFRBALKIRAK4KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009017454-A1 NEW THERAPEUTIC COMBINATION OF A GSK3 INHIBITOR AND AN A7-NICOTINIC AGONIST 960 ASTRAZENECA AB (SE) 2009-02-05 WO claimed
WO-2009017453-A1 NEW THERAPEUTIC COMBINATION OF AN ANTIPSYCHOTIC AND A GSK3 INHIBITOR 958 ASTRAZENECA AB (SE) 2009-02-05 WO claimed
WO-2009017455-A1 A NEW COMBINATION OF (A) AN ALPHA-4-BETA-2 -NEURONAL NICOTINIC AGONIST AND (B) A GSK3 INHIBITOR ASTRAZENECA AB (SE) 2009-02-05 WO claimed
US-20230115252-A1 METHODS FOR TREATING NEUROMUSCULAR JUNCTION-RELATED DISEASES UNIVERSITÉ PARIS CITÉ (FR) 2023-04-13 US disclosed
EP-3741375-A1 METHODS FOR TREATING NEUROMUSCULAR JUNCTION-RELATED DISEASES INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2020-11-25 EP disclosed
US-20200323900-A1 METHODS FOR TREATING NEUROMUSCULAR JUNCTION-RELATED DISEASES INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2020-10-15 US disclosed
US-20170209488-A1 METHODS FOR TREATING NEUROMUSCULAR JUNCTION-RELATED DISEASES INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2017-07-27 US disclosed
EP-3169337-A1 METHODS FOR TREATING NEUROMUSCULAR JUNCTION-RELATED DISEASES INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2017-05-24 EP disclosed
WO-2016008966-A1 METHODS FOR TREATING NEUROMUSCULAR JUNCTION-RELATED DISEASES INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2016-01-21 WO disclosed
WO-2009017454-A1 NEW THERAPEUTIC COMBINATION OF A GSK3 INHIBITOR AND AN A7-NICOTINIC AGONIST 960 ASTRAZENECA AB (SE) 2009-02-05 WO disclosed
WO-2009017453-A1 NEW THERAPEUTIC COMBINATION OF AN ANTIPSYCHOTIC AND A GSK3 INHIBITOR 958 ASTRAZENECA AB (SE) 2009-02-05 WO disclosed
WO-2009017455-A1 A NEW COMBINATION OF (A) AN ALPHA-4-BETA-2 -NEURONAL NICOTINIC AGONIST AND (B) A GSK3 INHIBITOR ASTRAZENECA AB (SE) 2009-02-05 WO disclosed