SCHEMBL7142182

SCHEMBL7142182

Fc1ccc(C2NN=Cc3ccccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.44
CA1 P00915 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
JAK2 O60674 1/20 0.34
HTR2A P28223 4/20 0.33
HTR2C P28335 4/20 0.33
HTR2B P41595 4/20 0.33
HRH3 Q9Y5N1 4/20 0.33
ATM Q13315 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
SCHEMBL7142187 1.00 PRCP (0.44) PRCPCA1GAAMAPTTDP1
SCHEMBL7138440 0.86 PRCP (0.38) PRCPGAAMAPT
SCHEMBL4273307 0.85 PRCP (0.45) PRCPGAAMAPT
SCHEMBL7145697 0.83 PRCP (0.44) PRCPGAAHTR2AHTR2CHTR2B
SCHEMBL7143820 0.83 KDM1A (0.37) PRCPGAAMAPT
SCHEMBL7145701 0.83 PRCP (0.44) PRCPGAAHTR2AHTR2CHTR2B
SCHEMBL7143821 0.83 KDM1A (0.37) PRCPGAAMAPT
SCHEMBL7143628 0.83 HTR2C (0.38) GAAMAPTHTR2AHTR2CHTR2B
SCHEMBL7143634 0.83 HTR2C (0.38) GAAMAPTHTR2AHTR2CHTR2B
SCHEMBL7141490 0.80 JAK2 (0.38) MAPTJAK2HTR2AHTR2CHTR2B

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