SCHEMBL7143994

SCHEMBL7143994

CCc1ccc(C2NN=Cc3ccccc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.37
NPBWR1 P48145 1/20 0.37
MCHR1 Q99705 1/20 0.37
ALDH1A1 P00352 4/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
TP53 P04637 2/20 0.34
ALOX15 P16050 1/20 0.34
KDM1A O60341 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 2/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PRCP P42785 1/20 0.32
KDM4E B2RXH2 1/20 0.32
RORC P51449 1/20 0.32

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
SCHEMBL7138988 0.84 HTR1A (0.32) PRCP
SCHEMBL7138997 0.84 HTR1A (0.32) PRCP
SCHEMBL4273307 0.84 PRCP (0.45) MAPK1ALDH1A1CASP1CASP7ALOX15
SCHEMBL7138440 0.82 PRCP (0.38) ALDH1A1MEN1KMT2ATSHRMAPT
SCHEMBL7143984 0.81 HDAC1 (0.33) PRCP
SCHEMBL7142187 0.80 PRCP (0.44) MAPTPRCP
SCHEMBL7143821 0.80 KDM1A (0.37) ALDH1A1KDM1AKMT2ANPC1RAB9A
SCHEMBL7145701 0.80 PRCP (0.44) KMT2APRCP
SCHEMBL7143820 0.80 KDM1A (0.37) ALDH1A1KDM1AKMT2ANPC1RAB9A
SCHEMBL7145697 0.80 PRCP (0.44) KMT2APRCP

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