SCHEMBL3229677

SCHEMBL3229677

O=C(O)[C@@H]1C[C@H](OC2CCCCO2)CN1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 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
SCHEMBL4284125 1.00 HRH3 (0.32) HRH3MEN1KMT2AATM
SCHEMBL376525 0.87 HRH3 (0.34) HRH3
SCHEMBL31217398 0.87 HRH3 (0.34) HRH3ATM
SCHEMBL15203580 0.83 GAA (0.32) HRH3MEN1KMT2A
SCHEMBL4276912 0.83 HRH3 (0.31) HRH3
SCHEMBL4282805 0.81 MEN1 (0.33) MEN1KMT2A
SCHEMBL3237030 0.81 MEN1 (0.33) MEN1KMT2A
SCHEMBL21110990 0.81 MEN1 (0.33) MEN1KMT2A
SCHEMBL376846 0.81 MEN1 (0.33) MEN1KMT2A
SCHEMBL21110961 0.80 MEN1 (0.32) MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518952-B2 6 substituted 2-heterocyclylamino pyrazine compounds as CHK-1 inhibitors PFIZER INC. (US) 2013-08-27 US disclosed
WO-2010016005-A1 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER INC. (US) 2010-02-11 WO disclosed