SCHEMBL27894425

SCHEMBL27894425

O=C(O)c1cn(-c2ccccc2)cn1.[LiH]

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
USP30 Q70CQ3 5/20 0.46
CPB1 P15086 1/20 0.43
CPB2 Q96IY4 1/20 0.43
LMNA P02545 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL69486 0.98 KDM4E (0.55) KDM4EUSP30CPB1CPB2LMNA
SCHEMBL27692944 0.85 KDM4E (0.55) KDM4EUSP30
SCHEMBL27911750 0.84 KDM4E (0.47) KDM4E
SCHEMBL9672218 0.84 KDM4E (0.47) KDM4E
SCHEMBL1879655 0.84 KDM4E (0.50) KDM4E
SCHEMBL24812338 0.84 KDM4E (0.45) KDM4EUSP30CPB1CPB2
SCHEMBL1079993 0.84 ADA (0.50) KDM4EUSP30CPB1CPB2
SCHEMBL28770737 0.83 KDM4E (0.50) KDM4E
SCHEMBL4423411 0.82 KDM4E (0.55) KDM4E
SCHEMBL2174602 0.82 KDM4E (0.48) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102985439-B9 IAP BIR domain binding compounds 制药科学股份有限公司 2016-08-03 CN disclosed
CN-102985439-B IAP BIR domain binding compounds 制药科学股份有限公司 2016-06-15 CN disclosed
CN-102985439-A IAP BIR domain binding compounds AEGERA THERAPEUTICS INC 2013-03-20 CN disclosed