SCHEMBL7138486

SCHEMBL7138486

CC(C)(C)c1ccc(C2NN=Cc3ccccc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 2/20 0.36
TNKS O95271 1/20 0.36
PARP3 Q9Y6F1 1/20 0.36
MAPT P10636 3/20 0.34
TSHR P16473 1/20 0.33
RIPK1 Q13546 1/20 0.33
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PRCP P42785 1/20 0.32
KDM1A O60341 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
NCOR2 Q9Y618 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
SCHEMBL7143628 0.85 HTR2C (0.38) MAPTTSHRMEN1KMT2AGAA
SCHEMBL7143634 0.85 HTR2C (0.38) MAPTTSHRMEN1KMT2AGAA
SCHEMBL4273307 0.84 PRCP (0.45) TNKS2MAPTTSHRMEN1KMT2A
SCHEMBL7138440 0.82 PRCP (0.38) MAPTTSHRMEN1KMT2AGAA
SCHEMBL7142187 0.80 PRCP (0.44) MAPTGAATDP1PRCP
SCHEMBL7145697 0.80 PRCP (0.44) KMT2AGAAPRCPSLC6A2SLC6A4
SCHEMBL7145701 0.80 PRCP (0.44) KMT2AGAAPRCPSLC6A2SLC6A4
SCHEMBL7142182 0.80 PRCP (0.44) MAPTGAATDP1PRCP
SCHEMBL7143821 0.80 KDM1A (0.37) MAPTKMT2AGAAPRCPKDM1A
SCHEMBL7136878 0.79 MAPT (0.37) MAPTMEN1KMT2AGAAPRCP

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-0966464-B1 SUBSTITUTED 2,4-DIAMINOPYRIMIDINES BASILEA PHARMACEUTICA AG (CH) 2003-05-28 EP disclosed
US-6114330-A BACTERICIDES HOFFMANN-LA ROCHE INC. (US) 2000-09-05 US 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