SCHEMBL4763430

SCHEMBL4763430

c1cc(Nc2ccc(N3CCOCC3)cc2)ncn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 2/20 0.59
MAPT P10636 5/20 0.52
HTT P42858 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALOX12 P18054 1/20 0.52
MAPK10 P53779 2/20 0.52
IGF1R P08069 3/20 0.49
JAK2 O60674 3/20 0.49
JAK1 P23458 2/20 0.49
AURKA O14965 1/20 0.49
AURKB Q96GD4 1/20 0.49
TTBK1 Q5TCY1 1/20 0.49
TTBK2 Q6IQ55 1/20 0.49
MAPK1 P28482 2/20 0.49
TP53 P04637 1/20 0.49
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.48
RAB9A P51151 1/20 0.48
CD274 Q9NZQ7 1/20 0.48
MAPK14 Q16539 1/20 0.47

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
SCHEMBL30854958 0.81 MAPT (0.65) PLK4MAPTHTTKDM4EALOX12
SCHEMBL30855027 0.81 PDE10A (0.64) PLK4MAPTMAPK10IGF1RJAK2
SCHEMBL30206206 0.79 PLK4 (0.59) PLK4MAPTHTTKDM4EALOX12
SCHEMBL374117 0.78 CD274 (0.57) PLK4MAPTHTTMAPK10JAK2
SCHEMBL374409 0.77 CD274 (0.59) MAPTHTTMAPK10IGF1RJAK2
SCHEMBL2194198 0.77 JAK2 (0.56) MAPTHTTMAPK10JAK2JAK1
SCHEMBL6982507 0.77 PLK4 (0.67) PLK4MAPTKDM4EMAPK10IGF1R
SCHEMBL7980595 0.77 MAPT (0.62) PLK4MAPTHTTKDM4EALOX12
SCHEMBL29972048 0.75 PLK4 (0.68) PLK4MAPTIGF1RJAK2AURKA
SCHEMBL4046201 0.73 FLT3 (0.75) PLK4MAPTMAPK10JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004108068-A2 4-[4-(4-MORPHOLINO)ANILINO]PYRIMIDINE DERIVATIVES, METHOD FOR PREPARING THEREOF AND ANTIVIRAL PHARMACEUTICAL COMPOSITION COMPRISING THE SAME B & C BIOPHARM CO., LTD. (KR) 2004-12-16 WO claimed
EP-1928884-A4 5,6-DIMETHYLTHIENO[2,3-DI]PYRIMIDINE DERIVATIVES, THE PREPARATION METHOD THEREOF AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FOR ANTI-VIRUS EQUISPHARM CO LTD (KR) 2008-11-12 EP disclosed
EP-1928884-A2 5,6-DIMETHYLTHIENO[2,3-DI]PYRIMIDINE DERIVATIVES, THE PREPARATION METHOD THEREOF AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FOR ANTI-VIRUS Equispharm Co., Ltd. (KR) 2008-06-11 EP disclosed
WO-2007035010-A2 5,6-DIMETHYLTHIENO[2,3-DI] PYRIMIDINE DERIVATIVES, THE PREPARATION METHOD THEREOF AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FOR ANTI-VIRUS EQUISPHARM CO., LTD (KR) 2007-03-29 WO disclosed
WO-2004108068-A3 4-[4-(4-MORPHOLINO)ANILINO]PYRIMIDINE DERIVATIVES, METHOD FOR PREPARING THEREOF AND ANTIVIRAL PHARMACEUTICAL COMPOSITION COMPRISING THE SAME B & C BIOPHARM CO LTD (KR) 2005-02-17 WO disclosed
WO-2004108068-A3 4-[4-(4-MORPHOLINO)ANILINO]PYRIMIDINE DERIVATIVES, METHOD FOR PREPARING THEREOF AND ANTIVIRAL PHARMACEUTICAL COMPOSITION COMPRISING THE SAME B & C BIOPHARM CO LTD (KR) 2005-02-17 WO disclosed
WO-2004108068-A2 4-[4-(4-MORPHOLINO)ANILINO]PYRIMIDINE DERIVATIVES, METHOD FOR PREPARING THEREOF AND ANTIVIRAL PHARMACEUTICAL COMPOSITION COMPRISING THE SAME B & C BIOPHARM CO., LTD. (KR) 2004-12-16 WO disclosed
WO-2004108068-A2 4-[4-(4-MORPHOLINO)ANILINO]PYRIMIDINE DERIVATIVES, METHOD FOR PREPARING THEREOF AND ANTIVIRAL PHARMACEUTICAL COMPOSITION COMPRISING THE SAME B & C BIOPHARM CO., LTD. (KR) 2004-12-16 WO disclosed
WO-2004108068-A2 4-[4-(4-MORPHOLINO)ANILINO]PYRIMIDINE DERIVATIVES, METHOD FOR PREPARING THEREOF AND ANTIVIRAL PHARMACEUTICAL COMPOSITION COMPRISING THE SAME B & C BIOPHARM CO., LTD. (KR) 2004-12-16 WO disclosed