SCHEMBL1822112

SCHEMBL1822112

N#Cc1cn(C(F)(F)F)c2ncccc12

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ELANE P08246 15/20 0.54
LRRK2 Q5S007 1/20 0.41
KDM4D Q6B0I6 1/20 0.39
TLR8 Q9NR97 1/20 0.39
CDK2 P24941 1/20 0.37
IMPDH2 P12268 1/20 0.36

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
SCHEMBL15559787 0.85 ELANE (0.52) ELANELRRK2KDM4DTLR8IMPDH2
SCHEMBL7844045 0.84 ELANE (0.57) ELANELRRK2KDM4DCDK2IMPDH2
SCHEMBL15559790 0.78 ELANE (0.48) ELANELRRK2KDM4DTLR8IMPDH2
SCHEMBL28914834 0.76 ELANE (0.55) ELANELRRK2KDM4DCDK2IMPDH2
SCHEMBL12146949 0.76 ELANE (0.57) ELANELRRK2KDM4DCDK2IMPDH2
SCHEMBL20674541 0.76 ELANE (0.61) ELANELRRK2KDM4DCDK2
SCHEMBL28049881 0.76 ELANE (0.57) ELANELRRK2KDM4DCDK2IMPDH2
SCHEMBL16464569 0.76 ELANE (0.61) ELANELRRK2KDM4DCDK2IMPDH2
SCHEMBL28822922 0.76 ELANE (0.57) ELANELRRK2KDM4DCDK2IMPDH2
SCHEMBL18188566 0.75 KMT2A (0.43) ELANEIMPDH2

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-2501236-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2012-09-26 EP disclosed
WO-2011063159-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-05-26 WO disclosed