SCHEMBL216705

SCHEMBL216705

CSc1ncc2c(=O)n3c(nc2n1)c1ccc(OC(C)C(=O)O)cc1n3-c1ccccn1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.36
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HPGD P15428 1/20 0.33
CYP1A2 P05177 1/20 0.31
GAA P10253 1/20 0.31
CYP2C9 P11712 1/20 0.31
PKM P14618 1/20 0.31
CYP2C19 P33261 1/20 0.31
PPARA Q07869 2/20 0.31
FPR2 P25090 1/20 0.31
SLC22A12 Q96S37 3/20 0.31
FFAR4 Q5NUL3 2/20 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
SCHEMBL2877876 0.88 SLC22A12 (0.35) KMT2AMEN1SLC22A12
SCHEMBL188869 0.87 F2RL3 (0.36) KMT2AMEN1ALDH1A1KDM4EHSD17B10
SCHEMBL188969 0.84 MEN1 (0.34) KMT2AMEN1
SCHEMBL188536 0.84 MEN1 (0.36) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL218961 0.83 MEN1 (0.33) PPARGKMT2AMEN1
SCHEMBL219010 0.83 MEN1 (0.37) KMT2AMEN1ALDH1A1HSD17B10GAA
SCHEMBL2875942 0.83 MEN1 (0.37) KMT2AMEN1GAA
SCHEMBL216006 0.83 POLB (0.40) KMT2AMEN1ALDH1A1KDM4EALOX15
SCHEMBL218024 0.82 CSF1R (0.35) KMT2AMEN1ALDH1A1KDM4EHSD17B10
SCHEMBL188485 0.81 MEN1 (0.40) KMT2AMEN1ALDH1A1KDM4EHPGD

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-2401281-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-01-04 EP disclosed