SCHEMBL2625554

SCHEMBL2625554

CCN/C(=N/C#N)NC(C)C

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.32

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
SCHEMBL21625943 0.84 HRH4 (0.31)
SCHEMBL9965490 0.83 MCL1 (0.39) MCL1
SCHEMBL13645770 0.82 CYP3A4 (0.30)
SCHEMBL12952510 0.82 EPHX1 (0.42)
SCHEMBL13670700 0.77
SCHEMBL19080498 0.77
SCHEMBL11477580 0.77
SCHEMBL14773217 0.77
SCHEMBL14584358 0.75
SCHEMBL9197345 0.73 MCL1 (0.33) MCL1

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
US-8163763-B2 Pyrimidine compounds, compositions and methods of use GENENTECH, INC. (US) 2012-04-24 US disclosed