SCHEMBL2637013

SCHEMBL2637013

Cc1nc([N+]2([C@@H]3CCNC3)CCC[C@@H]2C)ccc1C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 11/20 0.36
NNMT P40261 1/20 0.34
IRAK4 Q9NWZ3 5/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
PARP2 Q9UGN5 2/20 0.32
SYK P43405 2/20 0.32
KCNH2 Q12809 2/20 0.32
MAPK3 P27361 1/20 0.32
MAPK1 P28482 1/20 0.32
AURKB Q96GD4 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
SCHEMBL2633782 0.83
SCHEMBL2633879 0.83
SCHEMBL3654536 0.80 FLT3 (0.34) PARP1IRAK4MKNK1MKNK2SYK
SCHEMBL3650931 0.80 FLT3 (0.34) PARP1IRAK4MKNK1MKNK2SYK
SCHEMBL2633810 0.79 SLC6A2 (0.31)
SCHEMBL2637634 0.77 CCR8 (0.36)
SCHEMBL2637208 0.75 HPGD (0.37) MAPK1
SCHEMBL3657524 0.75 PARP10 (0.39) PARP2
SCHEMBL3655820 0.74 SLC6A2 (0.35) IRAK4MKNK1MKNK2KCNH2
Trifluoroacetic Acid SCHEMBL3654252 0.74 FLT3 (0.33) MKNK1MKNK2

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
EP-2569294-A1 SUBSTITUTED N-HETEROARYL BIPYRROLIDINE CARBOXAMIDES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-03-20 EP claimed
WO-2011143162-A1 SUBSTITUTED N-HETEROARYL BIPYRROLIDINE CARBOXAMIDES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-11-17 WO claimed