SCHEMBL7140463

SCHEMBL7140463

CN(C)c1ccc(C2NN=Cc3ccccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.37
ALDH1A1 P00352 8/20 0.36
MAPT P10636 5/20 0.36
TDP1 Q9NUW8 2/20 0.36
GAA P10253 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
HSP90AA1 P07900 1/20 0.34
RAB9A P51151 1/20 0.34
TSHR P16473 4/20 0.33
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX15 P16050 1/20 0.33
TP53 P04637 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33

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
SCHEMBL4273307 0.84 PRCP (0.45) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL7138440 0.82 PRCP (0.38) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL7138628 0.80 KDM1A (0.32)
SCHEMBL7143821 0.80 KDM1A (0.37) ALDH1A1MAPTGAAKMT2ANPC1
SCHEMBL7142182 0.80 PRCP (0.44) MAPTTDP1GAAPRCP
SCHEMBL7143820 0.80 KDM1A (0.37) ALDH1A1MAPTGAAKMT2ANPC1
SCHEMBL7145697 0.80 PRCP (0.44) GAAKMT2APRCP
SCHEMBL7142187 0.80 PRCP (0.44) MAPTTDP1GAAPRCP
SCHEMBL7145701 0.80 PRCP (0.44) GAAKMT2APRCP
SCHEMBL7140965 0.79 LMNA (0.39) ALDH1A1MAPTNPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0966464-B1 SUBSTITUTED 2,4-DIAMINOPYRIMIDINES BASILEA PHARMACEUTICA AG (CH) 2003-05-28 EP disclosed
CN-1091109-C Substituted 2, 4-diaminopyrimidines BASLIER PHARMACEUTICALS AG (CH) 2002-09-18 CN disclosed
US-6114330-A BACTERICIDES HOFFMANN-LA ROCHE INC. (US) 2000-09-05 US disclosed
CN-1249751-A Substituted 2, 4-diaminopyrimidines HOFFMANN LA ROCHE (CH) 2000-04-05 CN disclosed
EP-0966464-A1 SUBSTITUTED 2,4-DIAMINOPYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1999-12-29 EP disclosed
WO-1998039328-A1 SUBSTITUTED 2,4-DIAMINOPYRIMIDINES F.HOFFMANN-LA ROCHE AG (CH) 1998-09-11 WO disclosed