SCHEMBL3987072

SCHEMBL3987072

Oc1ccnc(NCc2ccccn2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.54
MAOB P27338 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 2/20 0.49
HTT P42858 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KCNH2 Q12809 1/20 0.45
SUMO3 P55854 1/20 0.44
SUMO2 P61956 1/20 0.44

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
SCHEMBL1244338 0.82 MAOA (0.70) MAOAMAOBSMN1; SMN2KDM4EHTT
SCHEMBL3976219 0.80 MAOA (0.54) MAOAMAOBSMN1; SMN2KDM4EHTT
SCHEMBL18608757 0.79 CDC7 (0.52) KDM4ENPC1HPGDALDH1A1MEN1
SCHEMBL18434686 0.77 CLK1 (0.42) HDAC3HDAC1HDAC2HDAC6NPC1
SCHEMBL11182915 0.75 MAOA (0.51) MAOAMAOBSMN1; SMN2KDM4EHTT
SCHEMBL2883879 0.75 MAOA (0.49) MAOAMAOBSMN1; SMN2KDM4EHTT
SCHEMBL28106506 0.73 PDPK1 (0.40) SMN1; SMN2KDM4EHTTNPC1HPGD
SCHEMBL13574641 0.73 OGA (0.61) MAOAMAOBALDH1A1MEN1KMT2A
SCHEMBL30078421 0.72 MAOA (0.58) MAOAMAOBSMN1; SMN2KDM4EHTT
SCHEMBL1310429 0.72 MAOA (0.58) MAOAMAOBSMN1; SMN2KDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009056886-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF FGFR ACTIVITY ASTRAZENECA AB (SE) 2009-05-07 WO disclosed