SCHEMBL9105964

SCHEMBL9105964

CN(C)c1nc(N)nc2c1COCC2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 7/20 0.40
TNKS2 Q9H2K2 7/20 0.40
KDM4E B2RXH2 1/20 0.40
TUBB3 Q13509 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ADRB2 P07550 1/20 0.33
CYP2C19 P33261 1/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
HRH4 Q9H3N8 3/20 0.31
HRH2 P25021 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL1226524 0.77 KDM4E (0.37) WNT3ATNKS2KDM4E
SCHEMBL6455478 0.77 KDM4E (0.60) KDM4ETUBB3ALDH1A1ADRB2NOS3
SCHEMBL6415688 0.74 TNKS2 (0.42) WNT3ATNKS2KDM4ECYP2C19
SCHEMBL6420412 0.74 KDM4E (0.35) WNT3ATNKS2KDM4EALDH1A1CYP2C19
SCHEMBL9105995 0.73 KDM4E (0.36) WNT3ATNKS2KDM4ECYP2C19HRH4
SCHEMBL31031407 0.71 WNT3A (0.38) WNT3ATNKS2
SCHEMBL606802 0.69 HRH4 (0.47) CYP2C19HRH4HRH2HRH3
SCHEMBL9583264 0.67 ACHE (0.67) KDM4EALDH1A1CYP2C19
SCHEMBL603795 0.67 HRH4 (0.42) CYP2C19HRH4HRH3
SCHEMBL21507300 0.66 TLR8 (0.48)

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