SCHEMBL3797299

SCHEMBL3797299

COc1cc(Nc2ncc(-c3csc(OC(N)=O)c3)n3ncnc23)ccc1C(=O)NCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.42
RET P07949 2/20 0.41
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HPGD P15428 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 5/20 0.39
KDM4E B2RXH2 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAK O14976 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
MAPK14 Q16539 1/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
AURKA O14965 1/20 0.36
RPS6KB1 P23443 1/20 0.36
EGFR P00533 2/20 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
SCHEMBL3802954 0.91 ALDH1A1 (0.35) POLBRETALDH1A1HPGDMAPT
SCHEMBL2219824 0.90 RET (0.43) POLBRETALDH1A1MEN1KMT2A
SCHEMBL13918176 0.87 POLB (0.40) POLBRETALDH1A1MEN1KMT2A
SCHEMBL1477791 0.84 ROCK2 (0.50) POLBALDH1A1MEN1KMT2AHPGD
SCHEMBL13918219 0.79 BTK (0.35) POLBALDH1A1HPGDMAPTKDM4E
SCHEMBL10169559 0.78 MAPKAPK5 (0.54) POLBRETALDH1A1MEN1KMT2A
SCHEMBL3794612 0.76 RAB9A (0.40) POLBALDH1A1MEN1KMT2AMAPT
SCHEMBL14368591 0.76 MAPKAPK5 (0.39) RETMAPTMAPK1EGFRBTK
SCHEMBL1476816 0.75 MAPKAPK5 (0.46)
SCHEMBL3798752 0.73 MAPKAPK5 (0.61) KDR

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-2029602-B1 TRIAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2010-04-21 EP claimed