SCHEMBL4022899

SCHEMBL4022899

Cc1ncc(C(=O)C=CN(C)C)n1C1CCOC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.35
MAPT P10636 5/20 0.34
ALDH1A1 P00352 5/20 0.34
PIK3CA P42336 3/20 0.34
CDK4 P11802 2/20 0.34
CCND1 P24385 2/20 0.34
CCND3 P30281 2/20 0.34
CDK6 Q00534 2/20 0.34
SPR P35270 1/20 0.34
MTOR P42345 1/20 0.33
TNF P01375 1/20 0.33
KMT2A Q03164 3/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 2/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
USP2 O75604 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
SCHEMBL4245094 0.93 PTGS2 (0.38) PTGS2MAPTALDH1A1PIK3CAMTOR
SCHEMBL4245100 0.93 PTGS2 (0.38) PTGS2MAPTALDH1A1PIK3CAMTOR
SCHEMBL4026915 0.86 MAPT (0.38) MAPTALDH1A1KMT2AHTTMEN1
SCHEMBL4026913 0.86 MAPT (0.38) MAPTALDH1A1KMT2AHTTMEN1
SCHEMBL1448519 0.84 ALDH1A1 (0.40) PTGS2MAPTALDH1A1CDK4CCND1
SCHEMBL1448522 0.84 ALDH1A1 (0.40) PTGS2MAPTALDH1A1CDK4CCND1
SCHEMBL1447709 0.84 ALDH1A1 (0.43) PTGS2MAPTALDH1A1CDK4CCND1
SCHEMBL1447706 0.84 ALDH1A1 (0.43) PTGS2MAPTALDH1A1CDK4CCND1
SCHEMBL4248909 0.83 MAPT (0.45) PTGS2MAPTALDH1A1CDK4CCND1
SCHEMBL4248915 0.83 MAPT (0.45) PTGS2MAPTALDH1A1CDK4CCND1

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