SCHEMBL3976219

SCHEMBL3976219

Clc1ccnc(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
KDM4E B2RXH2 3/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 2/20 0.49
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
RAB9A P51151 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KCNH2 Q12809 1/20 0.45
JAK2 O60674 1/20 0.44
IGF1R P08069 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
SCHEMBL3556495 0.85 MAOA (0.56) MAOAMAOBKDM4EHPGDSMN1; SMN2
SCHEMBL1244338 0.82 MAOA (0.70) MAOAMAOBKDM4EHPGDSMN1; SMN2
SCHEMBL3987072 0.80 MAOA (0.54) MAOAMAOBKDM4EHPGDSMN1; SMN2
SCHEMBL29836535 0.79 ATM (0.55) ALDH1A1
SCHEMBL1310429 0.79 MAOA (0.58) MAOAMAOBKDM4EHPGDSMN1; SMN2
SCHEMBL10441707 0.79 ATM (0.55) ALDH1A1
SCHEMBL2883879 0.75 MAOA (0.49) MAOAMAOBKDM4EHPGDSMN1; SMN2
SCHEMBL24054791 0.73 LMNA (0.58) MAOAMAOBKDM4EHPGDSMN1; SMN2
SCHEMBL3560364 0.73 KDM4E (0.53) MAOAMAOBKDM4EHPGDSMN1; SMN2
SCHEMBL1519442 0.73 LMNA (0.47) HSD17B10ALDH1A1LMNA

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