SCHEMBL6258173

SCHEMBL6258173

Cc1nn(C(C)(C)C)c(N)c1N.Cn1nc(-c2ccccc2)c(N)c1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.57
HPGD P15428 1/20 0.57
MAPT P10636 3/20 0.47
SRC P12931 3/20 0.41
ABL1 P00519 1/20 0.41
POLB P06746 3/20 0.40
CDK8 P49336 2/20 0.40
ACVR1 Q04771 1/20 0.40
CSF1R P07333 1/20 0.39
FGFR1 P11362 1/20 0.39
FLT1 P17948 1/20 0.39
KDR P35968 1/20 0.39
CSNK1A1 P48729 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
CDK5 Q00535 1/20 0.39
PRKCQ Q04759 1/20 0.39
LRRK2 Q5S007 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1B Q9Y463 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
SCHEMBL33804 0.82 MAPT (0.55) SMN1; SMN2HPGDMAPTPOLBCDK8
Hydrochloric Acid SCHEMBL6259439 0.81 MAPT (0.53) SMN1; SMN2HPGDMAPTPOLBCDK8
SCHEMBL5265869 0.76 MAPT (0.50) SMN1; SMN2HPGDMAPTPOLBCDK8
SCHEMBL33722 0.75 SMN1; SMN2 (0.52) SMN1; SMN2HPGDRIPK2
Hydrochloric Acid SCHEMBL7113251 0.74 SMN1; SMN2 (0.50) SMN1; SMN2HPGDRIPK2
SCHEMBL4214390 0.71 MAPT (0.58) SMN1; SMN2HPGDMAPTPOLBCDK8
SCHEMBL13860397 0.71 CDK8 (0.50) SMN1; SMN2HPGDMAPTPOLBCDK8
SCHEMBL19926278 0.68 MAPT (0.68) SMN1; SMN2HPGDMAPTSRCPOLB
SCHEMBL11656557 0.68 MAPT (0.58) SMN1; SMN2HPGDMAPTPOLBCDK8
Benzene SCHEMBL28784168 0.67 ADORA2A (0.46) MAPTPOLBCDK8CSF1RFGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1233744-A1 COLOURING AGENT FOR KERATIN CONTAINING FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2002-08-28 EP claimed
WO-2001034104-A1 COLOURING AGENT FOR KERATIN CONTAINING FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-05-17 WO claimed
EP-1542647-B1 Use of hair colouring products comprising 5,6-dihydroxyindoline or a physiologically acceptable salt thereof HENKEL AG & CO KGAA (DE) 2014-09-24 EP disclosed
EP-1542647-A1 HAIR COLOURING AGENT COMPRISING INDOLE OR INDOLINE DERIVATIVES Henkel Kommanditgesellschaft auf Aktien (DE) 2005-06-22 EP disclosed
WO-2004024109-A1 HAIR COLOURING AGENT COMPRISING INDOLE OR INDOLINE DERIVATIVES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-03-25 WO disclosed
EP-1233744-A1 COLOURING AGENT FOR KERATIN CONTAINING FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2002-08-28 EP disclosed
WO-2001034104-A1 COLOURING AGENT FOR KERATIN CONTAINING FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-05-17 WO disclosed