SCHEMBL9178127

SCHEMBL9178127

CN(C)c1cc(NC(C)(C)C)nc(N)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 3/20 0.66
PDPK1 O15530 1/20 0.35
TGFBR1 P36897 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
HRH4 Q9H3N8 3/20 0.33
KDM4E B2RXH2 1/20 0.32
CDK1 P06493 1/20 0.32
CDK2 P24941 1/20 0.32
MAPT P10636 2/20 0.31
APAF1 O14727 1/20 0.31
NSD2 O96028 1/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
SAE1 Q9UBE0 1/20 0.31
UBA2 Q9UBT2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL20109484 0.79 NUDT1 (1.00) NUDT1PDPK1TGFBR1
SCHEMBL1576638 0.76 NUDT1 (0.65) NUDT1PDPK1TGFBR1KMT2AMEN1
SCHEMBL9182270 0.75 NUDT1 (0.66) NUDT1PDPK1TGFBR1KMT2AHRH4
SCHEMBL7718036 0.75 NUDT1 (0.66) NUDT1PDPK1TGFBR1KMT2AMEN1
SCHEMBL17589006 0.74 SMN1; SMN2 (0.46) NUDT1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL1317216 0.74 CYP2C19 (0.50) KMT2AHRH4KDM4EMAPTSMN1; SMN2
SCHEMBL20109486 0.72 NUDT1 (0.62) NUDT1PDPK1TGFBR1HRH4
SCHEMBL7164892 0.72 NUDT1 (0.62) NUDT1HRH4CYP2D6
SCHEMBL21016702 0.70 JAK3 (0.38) NUDT1L3MBTL1CYP1A2CYP2D6
SCHEMBL7522734 0.70 TLR8 (0.65) NUDT1HRH4SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0519819-B1 Composition for use to reduce hair loss and to induce and stimulate its growth, containing derivatives of 2,4,6-triaminopyrimidin-N-oxide and the new derivatives of 2,4,6-triaminopyrimidin-N-oxide OREAL (FR) 1995-07-19 EP disclosed
EP-0519819-A1 Composition for use to reduce hair loss and to induce and stimulate its growth, containing derivatives of 2,4,6-triaminopyrimidin-N-oxide and the new derivatives of 2,4,6-triaminopyrimidin-N-oxide L'OREAL (FR) 1992-12-23 EP disclosed