SCHEMBL4753113

SCHEMBL4753113

CCn1c(C(=O)C=CN(C)C)cnc1C1CC1.CCn1c(C(C)=O)cnc1C1CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.34
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 7/20 0.33
RAB9A P51151 5/20 0.33
NPC1 O15118 4/20 0.33
KMT2A Q03164 3/20 0.33
HTT P42858 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
RECQL P46063 2/20 0.31
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE1C Q14123 1/20 0.31
POLB P06746 1/20 0.31
KDM4E B2RXH2 2/20 0.31
GAA P10253 2/20 0.31
LMNA P02545 3/20 0.31
ALOX12 P18054 2/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL1447757 0.95 MAPT (0.36) MAPTTDP1ALDH1A1RAB9ANPC1
SCHEMBL1447738 0.85 PDE1C (0.39) MAPTTDP1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4753112 0.79
SCHEMBL3554224 0.76 HTT (0.40) MAPTTDP1ALDH1A1RAB9ANPC1
SCHEMBL3554226 0.76 HTT (0.40) MAPTTDP1ALDH1A1RAB9ANPC1
SCHEMBL1448136 0.76 MAPT (0.39) MAPTTDP1ALDH1A1RAB9ANPC1
SCHEMBL3557023 0.73 MAPT (0.46) MAPTTDP1ALDH1A1RAB9ANPC1
SCHEMBL3557021 0.73 MAPT (0.46) MAPTTDP1ALDH1A1RAB9ANPC1
SCHEMBL1449077 0.73 HTT (0.37) MAPTTDP1ALDH1A1RAB9ANPC1
SCHEMBL4513606 0.72 ALDH1A1 (0.39) MAPTTDP1ALDH1A1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912974-A1 IMIDAZOLYL-PYRIMIDINE COMPOUNDS FOR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2008-04-23 EP disclosed
WO-2007015064-A1 IMIDAZOLYL-PYRIMIDINE COMPOUNDS FOR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2007-02-08 WO disclosed