SCHEMBL6869338

SCHEMBL6869338

NC(=O)Oc1cccc2[nH]c(C3CCCN3)nc12

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.69
PARP2 Q9UGN5 5/20 0.48
MAP4K4 O95819 1/20 0.41
CSF1R P07333 1/20 0.41
PIM1 P11309 1/20 0.41
CLK2 P49760 1/20 0.41
MAP4K2 Q12851 1/20 0.41
DYRK1A Q13627 1/20 0.41
MINK1 Q8N4C8 1/20 0.41
AURKB Q96GD4 1/20 0.41
MAP4K5 Q9Y4K4 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
SCHEMBL6872050 0.85 PARP1 (0.70) PARP1PARP2
SCHEMBL630259 0.82 PARP1 (1.00) PARP1PARP2
SCHEMBL7702651 0.82 PARP1 (1.00) PARP1PARP2
SCHEMBL633643 0.82 PARP1 (1.00) PARP1PARP2
SCHEMBL6864453 0.82 PARP1 (0.71) PARP1PARP2MAP4K4CSF1RPIM1
SCHEMBL6872238 0.81 PARP1 (0.68) PARP1PARP2
SCHEMBL6869625 0.79 PARP1 (0.69) PARP1PARP2
SCHEMBL7518634 0.79 PARP1 (0.48) PARP1PARP2
SCHEMBL7518847 0.79 PARP1 (0.48) PARP1PARP2
SCHEMBL7415820 0.79 PARP1 (0.56) PARP1PARP2PIM1

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
EP-1133477-B1 SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS PARP INHIBITORS ABBOTT GMBH & CO KG (DE) 2004-02-18 EP disclosed
EP-1133477-A1 SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS PARP INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-09-19 EP disclosed
WO-2000032579-A1 SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS PARP INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-06-08 WO disclosed