SCHEMBL6239373

SCHEMBL6239373

CCC(n1nc(-c2ccccc2)c(N)c1N)n1nc(-c2ccccc2)c(N)c1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
RECQL P46063 1/20 0.38
ALDH1A1 P00352 5/20 0.37
MAPT P10636 3/20 0.37
HPGD P15428 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
GLA P06280 2/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 1/20 0.36
CSF1R P07333 1/20 0.35
FGFR1 P11362 1/20 0.35
FLT1 P17948 1/20 0.35
KDR P35968 1/20 0.35
CSNK1A1 P48729 1/20 0.35
CDK8 P49336 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
CDK5 Q00535 1/20 0.35
PRKCQ Q04759 1/20 0.35

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
SCHEMBL29041058 0.75 MEN1 (0.50) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL33804 0.72 MAPT (0.55) KDM4ERECQLALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL6259439 0.70 MAPT (0.53) KDM4ERECQLALDH1A1MAPTHPGD
SCHEMBL13858360 0.70 PDE1A (0.49) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL4913392 0.70 ALDH1A1 (0.45) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL4914514 0.68 ALDH1A1 (0.44) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL6004377 0.68 KDM4E (0.43) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL1800736 0.67 NPC1 (0.54) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL6755862 0.67 KDM4E (0.42) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL13858541 0.67 KDM4E (0.49) KDM4EALDH1A1MAPTHPGDSMN1; 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005023209-A1 AGENT AND METHOD FOR DYEING KERATIN FIBERS WELLA AKTIENGESELLSCHAFT (DE) 2005-03-17 WO claimed
EP-1313434-A1 OXIDATION DYE Wella Aktiengesellschaft (DE) 2003-05-28 EP claimed
EP-1257249-A1 DIAMINOPYRAZOLE DERIVATIVES AND OXIDATION HAIR DYE CONTAINING PYRAZOLONE DERIVATIVES Wella Aktiengesellschaft (DE) 2002-11-20 EP claimed
WO-2002069918-A1 DIAMINOPYRAZOLE DERIVATIVES AND OXIDATION HAIR DYE CONTAINING PYRAZOLONE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 2002-09-12 WO claimed
WO-2002069919-A1 OXIDATION DYE WELLA AKTIENGESELLSCHAFT (DE) 2002-09-12 WO claimed
EP-1586302-A1 Dye composition comprising at least one pyrazolopyrimidine as oxidation base and at least one 6-alkoxy-2,3-diaminopyridine as coupler L'OREAL (FR) 2005-10-19 EP disclosed
WO-2005023209-A1 AGENT AND METHOD FOR DYEING KERATIN FIBERS WELLA AKTIENGESELLSCHAFT (DE) 2005-03-17 WO disclosed
EP-1405628-A1 Dyeing composition comprising at least one pyrazolopyrimidine oxidation base and at least one 6-alkoxy-2,3-diaminopyrimidine coupler L'OREAL (FR) 2004-04-07 EP disclosed
EP-1313434-A1 OXIDATION DYE Wella Aktiengesellschaft (DE) 2003-05-28 EP disclosed
EP-1257249-A1 DIAMINOPYRAZOLE DERIVATIVES AND OXIDATION HAIR DYE CONTAINING PYRAZOLONE DERIVATIVES Wella Aktiengesellschaft (DE) 2002-11-20 EP disclosed
WO-2002069918-A1 DIAMINOPYRAZOLE DERIVATIVES AND OXIDATION HAIR DYE CONTAINING PYRAZOLONE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 2002-09-12 WO disclosed
WO-2002069919-A1 OXIDATION DYE WELLA AKTIENGESELLSCHAFT (DE) 2002-09-12 WO disclosed