SCHEMBL1225635

SCHEMBL1225635

CC1CCc2nc(N)nc(N)c21

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
KDM4E B2RXH2 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
SCHEMBL9103338 0.89 KDM4E (0.32) KDM4E
SCHEMBL512167 0.81 HRH2 (0.32) HRH2HRH3KDM4E
SCHEMBL6472094 0.74 HRH2 (0.35) HRH2HRH3KDM4E
SCHEMBL8636197 0.71 NOS1 (0.38) HRH2HRH3
SCHEMBL8634429 0.71 NOS1 (0.38) HRH2HRH3
SCHEMBL8634425 0.71 NOS1 (0.38) HRH2HRH3
SCHEMBL8636193 0.71 NOS1 (0.38) HRH2HRH3
SCHEMBL2738580 0.71 LIMK1 (0.45)
SCHEMBL4421661 0.71 KDM4E (0.36) KDM4E
SCHEMBL30162228 0.68 ACHE (0.57) KDM4E

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 5 patents. 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
WO-2011014535-A1 COMPOUNDS FOR THE REDUCTION OF β-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-03 WO claimed
CN-102548557-B Compounds for reducing beta-amyloid production BRISTOL MYERS SQUIBB CO 2014-12-24 CN disclosed
EP-2459197-A1 COMPOUNDS FOR THE REDUCTION OF -AMYLOID PRODUCTION Bristol-Myers Squibb Company (US) 2012-06-06 EP disclosed
WO-2011014535-A1 COMPOUNDS FOR THE REDUCTION OF β-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-03 WO disclosed