SCHEMBL7844045

SCHEMBL7844045

CC(C)(C)n1cc(C#N)c2cccnc21

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELANE P08246 14/20 0.57
LRRK2 Q5S007 1/20 0.41
KDM4D Q6B0I6 1/20 0.39
IMPDH2 P12268 1/20 0.39
CDK2 P24941 1/20 0.37
SLC22A12 Q96S37 1/20 0.36
CFTR P13569 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) ELANELRRK2KDM4DIMPDH2
SCHEMBL1822112 0.84 ELANE (0.54) ELANELRRK2KDM4DIMPDH2CDK2
SCHEMBL15559790 0.81 ELANE (0.48) ELANELRRK2KDM4DIMPDH2CFTR
SCHEMBL16464569 0.79 ELANE (0.61) ELANELRRK2KDM4DIMPDH2CDK2
SCHEMBL21140258 0.77 SLC6A2 (0.40) ELANEKDM4D
SCHEMBL12146949 0.76 ELANE (0.57) ELANELRRK2KDM4DIMPDH2CDK2
SCHEMBL20674541 0.76 ELANE (0.61) ELANELRRK2KDM4DCDK2
SCHEMBL28049881 0.76 ELANE (0.57) ELANELRRK2KDM4DIMPDH2CDK2
SCHEMBL28822922 0.76 ELANE (0.57) ELANELRRK2KDM4DIMPDH2CDK2
SCHEMBL19678808 0.76 KDM4E (0.41) ELANE

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-1149098-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF 7-AZAINDOLYL-3-CARBOXYLIC ACID Dompé S.P.A. (IT) 2001-10-31 EP disclosed
WO-2000029411-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF 7-AZAINDOLYL-3-CARBOXYLIC ACID DOMPE' SPA (IT) 2000-05-25 WO disclosed