SCHEMBL4022141

SCHEMBL4022141

COC(C)(C)n1c(C(=O)C=CN(C)C)cnc1C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.40
ALDH1A1 P00352 8/20 0.40
HPGD P15428 2/20 0.40
HTT P42858 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
RAB9A P51151 6/20 0.35
LMNA P02545 5/20 0.35
POLB P06746 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 3/20 0.35
NPC1 O15118 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
RECQL P46063 2/20 0.35
KDM4E B2RXH2 2/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
ALOX12 P18054 1/20 0.33

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
SCHEMBL4028099 0.84 MAPT (0.38) MAPTALDH1A1HPGDHTTTDP1
SCHEMBL5109472 0.83 MAPT (0.37) MAPTALDH1A1HPGDHTTTDP1
SCHEMBL5109466 0.83 MAPT (0.37) MAPTALDH1A1HPGDHTTTDP1
SCHEMBL4026109 0.82 MAPT (0.40) MAPTALDH1A1HPGDHTTTDP1
SCHEMBL4026854 0.77 NPC1 (0.32) ALDH1A1RAB9AKMT2AMEN1NPC1
SCHEMBL5098850 0.76 HTT (0.42) MAPTALDH1A1HPGDHTTTDP1
SCHEMBL5098848 0.76 HTT (0.42) MAPTALDH1A1HPGDHTTTDP1
SCHEMBL6593945 0.73 MAPT (0.37) MAPTALDH1A1HPGDHTTTDP1
SCHEMBL6593940 0.73 MAPT (0.37) MAPTALDH1A1HPGDHTTTDP1
SCHEMBL3554224 0.72 HTT (0.40) MAPTALDH1A1HPGDHTTTDP1

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
EP-1485375-B1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2009-06-17 EP disclosed