SCHEMBL794088

SCHEMBL794088

CCOC(=O)c1nn(C(=O)O)c2cc(Br)ccc12

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ELANE P08246 20/20 0.64
F2 P00734 1/20 0.52
PLAU P00749 1/20 0.52

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
SCHEMBL793283 0.84 ELANE (0.55) ELANEF2PLAU
SCHEMBL9959858 0.84 ELANE (0.57) ELANEF2PLAU
SCHEMBL24247769 0.82 ELANE (0.55) ELANEF2PLAU
SCHEMBL19149065 0.80 ELANE (0.53) ELANEF2PLAU
SCHEMBL19127407 0.78 ELANE (0.51) ELANEF2PLAU
SCHEMBL491986 0.78 ELANE (0.48) ELANEF2PLAU
SCHEMBL793288 0.78 PDGFRA (0.54) ELANEPLAU
SCHEMBL13502780 0.77 KDM4E (0.55) ELANE
SCHEMBL492581 0.77 ELANE (0.47) ELANEF2PLAU
SCHEMBL20740648 0.77 PDGFRA (0.50) 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-2616443-A1 PHTALAZINE DERIVATIVES AS JAK1 INHIBITORS Exelixis, Inc. (US) 2013-07-24 EP disclosed
WO-2012037132-A1 PHTALAZINE DERIVATIVES AS JAK1 INHIBITORS EXELIXIS, INC. (US) 2012-03-22 WO disclosed