SCHEMBL17059451

SCHEMBL17059451

C=Cc1ccnc2ccc([S+](C)[O-])cc12

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL16288862 0.84 KDM4E (0.31) KDM4EMAPK1NPSR1
SCHEMBL16288863 0.79 SMN1; SMN2 (0.46) KDM4EMAPK1NPSR1
SCHEMBL4009656 0.78 DYRK1B (0.39) KDM4EMAPK1
SCHEMBL17059460 0.72 RIPK2 (0.48) KDM4EMAPK1NPSR1
SCHEMBL17059455 0.71 PARP1 (0.46) KDM4EMAPK1NPSR1
SCHEMBL1147789 0.71 KDM4E (0.64) KDM4EMAPK1NPSR1
SCHEMBL17033101 0.69 CCR1 (0.42) KDM4EMAPK1NPSR1
SCHEMBL17059467 0.69 RIPK2 (0.36) KDM4EMAPK1NPSR1
SCHEMBL17059457 0.69 RIPK1 (0.49) KDM4EMAPK1NPSR1
SCHEMBL17059454 0.69 RIPK2 (0.54) KDM4EMAPK1NPSR1

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-2566477-B1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2015-09-02 EP disclosed