SCHEMBL7008081

SCHEMBL7008081

CCOC(=O)Oc1c(-c2ccncc2)c2n(c1-c1ccc(F)cc1)CCCC2

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.44
RIPK3 Q9Y572 11/20 0.43
KMT2A Q03164 1/20 0.41
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39

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
SCHEMBL7006565 0.97 MAPK14 (0.44) MAPK14RIPK3KMT2APDE3BPDE3A
SCHEMBL7010615 0.97 MAPK14 (0.44) MAPK14RIPK3KMT2APDE3BPDE3A
SCHEMBL7006189 0.92 RIPK3 (0.44) MAPK14RIPK3KMT2APDE3BPDE3A
SCHEMBL7008536 0.89 RIPK3 (0.45) MAPK14RIPK3KMT2APDE3BPDE3A
SCHEMBL7012237 0.89 RIPK3 (0.45) MAPK14RIPK3KMT2APDE3BPDE3A
SCHEMBL6995346 0.85 PTGS2 (0.46) MAPK14KMT2APDE3BPDE3A
SCHEMBL6294490 0.84 KMT2A (0.47) MAPK14RIPK3KMT2APDE3BPDE3A
SCHEMBL6290028 0.82 KMT2A (0.47) MAPK14RIPK3KMT2APDE3BPDE3A
SCHEMBL6294493 0.81 KMT2A (0.51) MAPK14RIPK3KMT2APDE3BPDE3A
SCHEMBL6290050 0.81 KMT2A (0.51) MAPK14RIPK3KMT2APDE3BPDE3A

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-1252163-B1 4-PYRIDYL-AND 2,4-PYRIMIDINYL-SUBSTITUTED PYRROLE DERIVATIVES AND THEIR USE IN PHARMACY MERCKLE GMBH (DE) 2003-09-24 EP disclosed
EP-1252163-A2 4-PYRIDYL-AND 2,4-PYRIMIDINYL-SUBSTITUTED PYRROLE DERIVATIVES AND THEIR USE IN PHARMACY MERCKLE GMBH (DE) 2002-10-30 EP disclosed
WO-2001057042-A2 4-PYRIDYL-AND 2,4-PYRIMIDINYL-SUBSTITUTED PYRROLE DERIVATIVES AND THEIR USE IN PHARMACY MERCKLE GMBH (DE) 2001-08-09 WO disclosed