SCHEMBL7480341

SCHEMBL7480341

COC(=O)N(C)c1ccc(Cl)c2c1CN(Nc1ccncc1)C2

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 6/20 0.36
JAK2 O60674 5/20 0.33
HTT P42858 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 2/20 0.32
GAA P10253 1/20 0.32
JAK1 P23458 2/20 0.32
KCNMA1 Q12791 1/20 0.31
BCHE P06276 1/20 0.31
CYP3A4 P08684 1/20 0.31
NISCH Q9Y2I1 1/20 0.31
ROCK2 O75116 1/20 0.30
ROCK1 Q13464 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
Hydrochloric Acid SCHEMBL7481351 0.99 TYK2 (0.35) TYK2JAK2HTTMEN1KMT2A
SCHEMBL7479802 0.81 HDAC1 (0.31)
SCHEMBL7480336 0.81 KDM4E (0.44) TYK2HTTMEN1KMT2AGAA
Hydrochloric Acid SCHEMBL7490200 0.80 KDM4E (0.43) TYK2HTTGAAKCNMA1
SCHEMBL7481472 0.77 GRIN2D (0.34) MEN1KMT2A
SCHEMBL7478752 0.75 KCNMA1 (0.39) TYK2JAK2MEN1KMT2APOLB
Hydrochloric Acid SCHEMBL7483308 0.74 KCNMA1 (0.38) TYK2JAK2MEN1KMT2APOLB
SCHEMBL7539760 0.74 GAA (0.33) TYK2JAK2HTTMEN1KMT2A
SCHEMBL7481050 0.73 KCNMA1 (0.35) TYK2JAK2HTTMEN1KMT2A
SCHEMBL7483392 0.72 TYK2 (0.34) TYK2JAK2MEN1KMT2APOLB

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-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