SCHEMBL7705702

SCHEMBL7705702

CN(C)c1ccc(C(=O)NCCc2ccccc2)cn1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.66
NPC1 O15118 12/20 0.66
SMN1; SMN2 Q16637 7/20 0.66
MAPT P10636 5/20 0.59
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
HDAC2 Q92769 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
LMNA P02545 2/20 0.56
ALDH1A1 P00352 2/20 0.56
TSHR P16473 1/20 0.56
KDM4E B2RXH2 2/20 0.55
POLB P06746 1/20 0.55
MLYCD O95822 1/20 0.54
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
MCHR1 Q99705 1/20 0.53
TP53 P04637 1/20 0.52

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
SCHEMBL7698200 0.82 RAB9A (0.71) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL7701024 0.81 RAB9A (0.72) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL7703395 0.80 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL7704280 0.79 RAB9A (0.66) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL1332232 0.76 MAPT (0.84) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL13201032 0.76 ALDH1A1 (0.65) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL3959686 0.76 SMN1; SMN2 (0.48) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL3978664 0.75 HPGDS (0.50) MAPTMEN1KMT2AHDAC6LMNA
SCHEMBL6755755 0.75 MLYCD (0.52) KMT2AKDM4EMLYCDHPGDNPSR1
SCHEMBL751214 0.75 HDAC2 (0.80) RAB9ANPC1SMN1; SMN2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0901488-B1 2,4-DIAMINOPYRIMIDINE DERIVATIVES BASILEA PHARMACEUTICA AG (CH) 2002-11-06 EP disclosed
EP-0901488-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-03-17 EP disclosed
US-5866583-A Substituted 2,4-diaminopyrimidines HOFFMANN-LA ROCHE INC. (US) 1999-02-02 US disclosed
WO-1997043277-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-11-20 WO disclosed