SCHEMBL9105995

SCHEMBL9105995

CNc1nc(N)nc2c1COCC2

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
WNT3A P56704 8/20 0.34
TNKS2 Q9H2K2 8/20 0.34
HRH4 Q9H3N8 3/20 0.33
CYP2C19 P33261 1/20 0.33
TLR9 Q9NR96 1/20 0.32
CHUK O15111 1/20 0.32
ROCK2 O75116 1/20 0.31
PDK1 Q15118 1/20 0.30

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
SCHEMBL21507300 0.78 TLR8 (0.48)
SCHEMBL31152270 0.78 TNKS2 (0.39) WNT3ATNKS2TLR9ROCK2
SCHEMBL6419598 0.77 TLR8 (0.47) TLR9
SCHEMBL1226524 0.77 KDM4E (0.37) KDM4EWNT3ATNKS2PDK1
SCHEMBL6420412 0.74 KDM4E (0.35) KDM4EWNT3ATNKS2CYP2C19PDK1
SCHEMBL6415688 0.74 TNKS2 (0.42) KDM4EWNT3ATNKS2CYP2C19PDK1
SCHEMBL9105964 0.73 WNT3A (0.40) KDM4EWNT3ATNKS2HRH4CYP2C19
SCHEMBL31229759 0.73 P2RX3 (0.37) WNT3ATNKS2
SCHEMBL21490320 0.72 TLR8 (0.50)
SCHEMBL21490321 0.72 TLR8 (0.50)

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-2459197-A1 COMPOUNDS FOR THE REDUCTION OF -AMYLOID PRODUCTION Bristol-Myers Squibb Company (US) 2012-06-06 EP claimed