SCHEMBL7007985

SCHEMBL7007985

O=C(O)Oc1c(-c2ccncc2)c(-c2ccc(F)cc2)n2c1CCC2

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
RIPK3 Q9Y572 10/20 0.43
MAPK14 Q16539 7/20 0.43
KDM4E B2RXH2 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
SCHEMBL7008536 0.86 RIPK3 (0.45) KMT2ARIPK3MAPK14
SCHEMBL7012237 0.86 RIPK3 (0.45) KMT2ARIPK3MAPK14
SCHEMBL6053689 0.84 KMT2A (0.63) KMT2AKDM4E
SCHEMBL6294484 0.83 KMT2A (0.69) KMT2ARIPK3MAPK14KDM4E
SCHEMBL7006189 0.83 RIPK3 (0.44) KMT2ARIPK3MAPK14
SCHEMBL7006701 0.81 ALOX5 (0.41) KMT2AKDM4E
SCHEMBL7009622 0.79 MAPK14 (0.48) RIPK3MAPK14KDM4E
SCHEMBL7001656 0.79 KMT2A (0.52) KMT2AKDM4E
SCHEMBL6291337 0.77 KMT2A (0.47) KMT2ARIPK3MAPK14
SCHEMBL7009927 0.77 KMT2A (0.47) 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
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