SCHEMBL4376368

SCHEMBL4376368

CN1CCN(C(=O)c2ccc(-c3cnc(CN(C)C4CCN(C(=O)O)CC4)cn3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 14/20 0.46
MKNK2 Q9HBH9 14/20 0.46
POLB P06746 1/20 0.44
ATR Q13535 3/20 0.43
L3MBTL3 Q96JM7 1/20 0.43
KCNH2 Q12809 1/20 0.41

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
SCHEMBL13690552 0.88 GPR119 (0.49)
SCHEMBL4056589 0.86 ATR (0.40) MKNK1MKNK2ATRL3MBTL3
SCHEMBL4050800 0.86 ALDH1A1 (0.41) ATR
SCHEMBL13690530 0.85 ATR (0.47) MKNK1MKNK2ATRL3MBTL3KCNH2
SCHEMBL4050702 0.85 GPR119 (0.46) MKNK1MKNK2ATRKCNH2
SCHEMBL4370431 0.83 ATR (0.50) MKNK1MKNK2ATRL3MBTL3
SCHEMBL4053316 0.83 ATR (0.41) MKNK1MKNK2ATRL3MBTL3
SCHEMBL4374631 0.83 ITGB3 (0.40) ATR
SCHEMBL4060086 0.82 RORC (0.46) ATR
SCHEMBL4370580 0.82 ATR (0.34) MKNK1MKNK2ATR

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
WO-2009106561-A1 PYRAZINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2009-09-03 WO disclosed