SCHEMBL6294031

SCHEMBL6294031

Cc1c(-c2ccncc2)c(-c2ccc(F)cc2)n2c1CCC2.OCc1c(-c2ccncc2)c(-c2ccc(F)cc2)n2c1CCC2

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
RIPK3 Q9Y572 12/20 0.41
MAPK14 Q16539 7/20 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
SCHEMBL6290029 0.93 KMT2A (0.47) KMT2ARIPK3MAPK14
SCHEMBL6291350 0.93 KMT2A (0.47) KMT2ARIPK3MAPK14
SCHEMBL6290810 0.90 RIPK3 (0.45) KMT2ARIPK3MAPK14
SCHEMBL7009927 0.90 KMT2A (0.47) KMT2ARIPK3MAPK14
SCHEMBL6291337 0.90 KMT2A (0.47) KMT2ARIPK3MAPK14
SCHEMBL6291378 0.86 RIPK3 (0.44) KMT2ARIPK3MAPK14
SCHEMBL9066021 0.76 KMT2A (0.37) KMT2ARIPK3
SCHEMBL27492751 0.76 KMT2A (0.47) KMT2ARIPK3MAPK14
SCHEMBL6291300 0.75 KMT2A (0.51) KMT2ARIPK3MAPK14
SCHEMBL6291391 0.75 KMT2A (0.51) KMT2ARIPK3MAPK14

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
US-6867211-B2 4-Pyridyl-and 2,4-pyrimidinyl-substituted pyrrole derivatives and their use in pharmacy MERCKLE GMBH (DE) 2005-03-15 US disclosed