SCHEMBL3800071

SCHEMBL3800071

CNC(=O)Oc1nc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3ncnn23)cs1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 13/20 0.56
FGFR1 P11362 1/20 0.40
PKMYT1 Q99640 2/20 0.40
INSR P06213 1/20 0.40
IGF1R P08069 1/20 0.40
PTK2 Q05397 1/20 0.40
PTK2B Q14289 1/20 0.40
SLC2A1 P11166 1/20 0.39
EGFR P00533 1/20 0.39
ABL1 P00519 1/20 0.39
NTRK1 P04629 1/20 0.39
YES1 P07947 1/20 0.39
KDR P35968 1/20 0.39
AURKA O14965 1/20 0.39

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
SCHEMBL3800406 0.91 MAPKAPK5 (0.46) MAPKAPK5EGFR
SCHEMBL3801156 0.90 MAPKAPK5 (0.58) MAPKAPK5AURKA
SCHEMBL1477651 0.87 MAPKAPK5 (0.57) MAPKAPK5FGFR1PKMYT1INSRIGF1R
SCHEMBL1476709 0.82 MAPKAPK5 (0.58) MAPKAPK5AURKA
SCHEMBL3794145 0.82 MAPKAPK5 (0.48) MAPKAPK5EGFR
SCHEMBL14207160 0.82 MAPKAPK5 (0.64) MAPKAPK5ABL1NTRK1YES1KDR
SCHEMBL2218510 0.78 MAPKAPK5 (0.47) MAPKAPK5FGFR1PKMYT1INSRIGF1R
SCHEMBL12443678 0.78 MAPKAPK5 (0.47) MAPKAPK5FGFR1PKMYT1INSRIGF1R
SCHEMBL3801487 0.76 MAPKAPK5 (0.61) MAPKAPK5AURKA
SCHEMBL2217622 0.76 MAPKAPK5 (0.64) MAPKAPK5ABL1NTRK1YES1KDR

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