SCHEMBL8124406

SCHEMBL8124406

O=C(Nc1ccncc1)c1c(F)cccc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 6/20 1.00
JAK1 P23458 4/20 1.00
JAK2 O60674 4/20 1.00
HTT P42858 2/20 1.00
NOD2 Q9HC29 1/20 1.00
LMNA P02545 1/20 0.69
CYP3A4 P08684 1/20 0.65
MAPK7 Q13164 3/20 0.62
MAPK14 Q16539 1/20 0.62
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
KDM4E B2RXH2 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL3515504 0.89 TYK2 (1.00) TYK2JAK1JAK2HTTNOD2
SCHEMBL3512704 0.89 TYK2 (0.79) TYK2JAK1JAK2HTTNOD2
SCHEMBL3515796 0.86 TYK2 (0.75) TYK2JAK1JAK2HTTNOD2
SCHEMBL30739749 0.83 JAK2 (0.71) TYK2JAK1JAK2HTTNOD2
SCHEMBL30739821 0.81 JAK2 (0.69) TYK2JAK1JAK2HTTNOD2
SCHEMBL8120027 0.81 HTT (0.77) TYK2JAK1JAK2HTTNOD2
SCHEMBL3514109 0.81 TYK2 (0.69) TYK2JAK1JAK2HTTNOD2
SCHEMBL1057314 0.79 JAK2 (0.65) TYK2JAK1JAK2HTTNOD2
SCHEMBL678422 0.79 JAK2 (0.65) TYK2JAK1JAK2HTTNOD2
SCHEMBL7927691 0.79 JAK2 (0.65) TYK2JAK1JAK2HTTNOD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0848713-B1 PYRIDINIMINYL-1,2-BENZISOXAZOLES AND- BENZISOTHIAZOLES AS ANTIPSYCHOTIC AGENTS AVENTIS PHARMA INC (US) 2000-10-25 EP disclosed
EP-0848713-A1 PYRIDINIMINYL-1,2-BENZISOXAZOLES AND- BENZISOTHIAZOLES AS ANTIPSYCHOTIC AGENTS HOECHST MARION ROUSSEL, INC. (US) 1998-06-24 EP disclosed
US-5728717-A COGNITION ACTIVATORS, ANTIDEPRESSANTS HOECHST MARION ROUSSEL INC. (US) 1998-03-17 US disclosed
US-5668154-A TREATMENT OF MEMORY DYSFUNCTION, ALZHEIMER*S DISEASE, ANTIDEPRESSANTS HOECHST MARION ROUSSEL INC. (US) 1997-09-16 US disclosed
WO-1996039405-A1 PYRIDINIMINYL-1,2-BENZISOXAZOLES AND- BENZISOTHIAZOLES AS ANTIPSYCHOTIC AGENTS HOECHST MARION ROUSSEL, INC. (US) 1996-12-12 WO disclosed