SCHEMBL7476313

SCHEMBL7476313

COC1CN(Nc2ccncc2)Cc2c(Cl)cccc21

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.34
TGFBR1 P36897 1/20 0.32
TYK2 P29597 3/20 0.32
JAK2 O60674 3/20 0.32
CYP3A4 P08684 1/20 0.32
JAK1 P23458 1/20 0.32
ADRA2A P08913 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
BUB1 O43683 1/20 0.30
CYP19A1 P11511 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
SCHEMBL7483361 0.83 TYK2 (0.34) NISCHTYK2JAK2CYP3A4JAK1
SCHEMBL7477137 0.80 SLC6A2 (0.35) CYP19A1
Hydrochloric Acid SCHEMBL7480218 0.79 SLC6A2 (0.34) CYP19A1
SCHEMBL7483392 0.79 TYK2 (0.34) NISCHTYK2JAK2CYP3A4JAK1
SCHEMBL7478752 0.69 KCNMA1 (0.39) NISCHTYK2JAK2SMN1; SMN2CYP19A1
Hydrochloric Acid SCHEMBL7483308 0.69 KCNMA1 (0.38) NISCHTYK2JAK2SMN1; SMN2
SCHEMBL7537153 0.67 OPRD1 (0.41)
SCHEMBL7481050 0.65 KCNMA1 (0.35) NISCHTYK2JAK2CYP3A4JAK1
SCHEMBL8507172 0.64 TYK2 (0.30) NISCHTYK2JAK2CYP3A4JAK1
SCHEMBL7480365 0.64 CYP19A1 (0.44) NISCHJAK2SMN1; SMN2CYP19A1

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
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
EP-0496342-B2 New hydrazine derivative and pesticidal composition comprising said derivative as an effective ingredient NIPPON KAYAKU KK (JP) 2002-07-24 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
EP-0496342-B1 New hydrazine derivative and pesticidal composition comprising said derivative as an effective ingredient NIPPON KAYAKU KK (JP) 1996-11-27 EP disclosed
US-5530021-A AGRICULTURAL INSECTICIDES NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1996-06-25 US disclosed
US-5378726-A Insecticide, parasiticide NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1995-01-03 US disclosed
EP-0496342-A1 New hydrazine derivative and pesticidal composition comprising said derivative as an effective ingredient Nippon Kayaku Kabushiki Kaisha (JP) 1992-07-29 EP disclosed