SCHEMBL7145697

SCHEMBL7145697

Clc1ccc(C2NN=Cc3ccccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.44
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
SLC6A2 P23975 4/20 0.39
SLC6A3 Q01959 3/20 0.39
MECP2 P51608 1/20 0.36
MBD2 Q9UBB5 1/20 0.36
SLC6A4 P31645 2/20 0.35
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
HRH3 Q9Y5N1 2/20 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
SCHEMBL7145701 1.00 PRCP (0.44) PRCPGAAKMT2ASLC6A2SLC6A3
SCHEMBL7138440 0.86 PRCP (0.38) PRCPGAAKMT2A
SCHEMBL4273307 0.85 PRCP (0.45) PRCPGAAKMT2ASLC6A2SLC6A3
SCHEMBL7142182 0.83 PRCP (0.44) PRCPGAAHTR2AHTR2CHTR2B
SCHEMBL7143820 0.83 KDM1A (0.37) PRCPGAAKMT2A
SCHEMBL7142187 0.83 PRCP (0.44) PRCPGAAHTR2AHTR2CHTR2B
SCHEMBL7143821 0.83 KDM1A (0.37) PRCPGAAKMT2A
SCHEMBL7143994 0.80 MAPK1 (0.37) PRCPKMT2A
SCHEMBL7138486 0.80 TNKS2 (0.36) PRCPGAAKMT2ASLC6A2SLC6A3
SCHEMBL7141477 0.80 NPC1 (0.37) PRCP

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