SCHEMBL7480814

SCHEMBL7480814

COC(=O)Nc1ccc2c(c1)CN(Nc1ccccn1)C2

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 8/20 0.42
RAB9A P51151 7/20 0.42
KDM4E B2RXH2 4/20 0.42
NAMPT P43490 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 3/20 0.40
SMARCA2 P51531 1/20 0.40
SMARCA4 P51532 1/20 0.40
MCL1 Q07820 1/20 0.40
TP53 P04637 1/20 0.40
SYK P43405 1/20 0.40
HTT P42858 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39

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
SCHEMBL7480818 0.78 ALDH1A1 (0.47) NPC1RAB9AKDM4ENAMPTSMN1; SMN2
SCHEMBL7477791 0.78 NPC1 (0.42) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL7480938 0.76 NPC1 (0.43) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL7474257 0.75 MEN1 (0.44) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL14625982 0.73 MEN1 (0.49) KMT2AMEN1KDM4ENAMPTSMN1; SMN2
SCHEMBL27528778 0.73 GRIN2B (0.39) KMT2AMEN1NPC1RAB9AHTT
SCHEMBL7482791 0.72 MAPK1 (0.41) KMT2AMEN1NPC1RAB9ANAMPT
SCHEMBL17266541 0.72 NPC1 (0.66) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL29655221 0.72 NPC1 (0.66) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL14590631 0.72 NOTUM (0.50) KMT2AMEN1KDM4ENAMPTSMN1; SMN2

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-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