SCHEMBL7483392

SCHEMBL7483392

COC(=O)N(C)C1CN(Nc2ccncc2)Cc2c(Cl)cccc21

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 6/20 0.34
JAK2 O60674 5/20 0.34
JAK1 P23458 3/20 0.34
CYP3A4 P08684 1/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ACHE P22303 3/20 0.32
NISCH Q9Y2I1 1/20 0.32
POLB P06746 2/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
BCHE P06276 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
RAF1 P04049 1/20 0.31

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
SCHEMBL7483361 0.82 TYK2 (0.34) TYK2JAK2JAK1CYP3A4MEN1
SCHEMBL7476313 0.79 NISCH (0.34) TYK2JAK2JAK1CYP3A4NISCH
SCHEMBL7480341 0.72 TYK2 (0.36) TYK2JAK2JAK1CYP3A4MEN1
Hydrochloric Acid SCHEMBL7481351 0.72 TYK2 (0.35) TYK2JAK2JAK1CYP3A4MEN1
SCHEMBL7480336 0.69 KDM4E (0.44) TYK2MEN1KMT2AACHEMAPT
Hydrochloric Acid SCHEMBL7490200 0.68 KDM4E (0.43) TYK2ACHEMAPTRAB9A
SCHEMBL7481472 0.66 GRIN2D (0.34) MEN1KMT2ARAB9A
SCHEMBL7483738 0.65 ACHE (0.40) ACHENISCHBCHEMAOAMAOB
SCHEMBL7478752 0.64 KCNMA1 (0.39) TYK2JAK2MEN1KMT2ANISCH
SCHEMBL7539760 0.63 GAA (0.33) TYK2JAK2JAK1CYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0950056-B1 N-(PYRIDINYLAMINO)ISOINDOLINES AND RELATED COMPOUNDS AVENTIS PHARMA INC (US) 2002-09-18 EP claimed
EP-0950056-A2 N-(PYRIDINYLAMINO)ISOINDOLINES AND RELATED COMPOUNDS HOECHST MARION ROUSSEL, INC. (US) 1999-10-20 EP claimed
WO-1998029407-A2 N-(PYRIDINYLAMINO)ISOINDOLINES FOR TREATING ALZHEIMER'S AND DEPRESSION HOECHST MARION ROUSSEL, INC. (US) 1998-07-09 WO claimed
EP-0950056-B1 N-(PYRIDINYLAMINO)ISOINDOLINES AND RELATED COMPOUNDS AVENTIS PHARMA INC (US) 2002-09-18 EP disclosed
US-6004977-A ANTIDEPRESSANTS, COGNITION ACTIVATORS, AND ALZHEIMER'S DISEASE TREATMENT HOECHST MARION ROUSSEL, INC. (US) 1999-12-21 US disclosed
EP-0950056-A2 N-(PYRIDINYLAMINO)ISOINDOLINES AND RELATED COMPOUNDS HOECHST MARION ROUSSEL, INC. (US) 1999-10-20 EP disclosed
WO-1998029407-A2 N-(PYRIDINYLAMINO)ISOINDOLINES FOR TREATING ALZHEIMER'S AND DEPRESSION HOECHST MARION ROUSSEL, INC. (US) 1998-07-09 WO disclosed