SCHEMBL3801252

SCHEMBL3801252

NC(=O)Oc1cc(-c2cnc(Nc3ccc(OCCN4CCOCC4)cc3)c3ncnn23)cs1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 4/20 0.47
EGFR P00533 3/20 0.41
SYK P43405 1/20 0.40
CFTR P13569 1/20 0.39
FGFR1 P11362 1/20 0.39
SRC P12931 1/20 0.39
BRAF P15056 1/20 0.39
MAPK14 Q16539 1/20 0.39
KDR P35968 1/20 0.39
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
PTK2 Q05397 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
SCHEMBL1475644 0.89 MAPKAPK5 (0.58) MAPKAPK5EGFRSYKCFTRFGFR1
SCHEMBL3801487 0.88 MAPKAPK5 (0.61) MAPKAPK5
SCHEMBL3797323 0.87 MAPKAPK5 (0.46) MAPKAPK5EGFRSYKFGFR1KDR
SCHEMBL3798405 0.84 MAPKAPK5 (0.50) MAPKAPK5JAK2
SCHEMBL3798752 0.81 MAPKAPK5 (0.61) MAPKAPK5SYKSRCKDR
SCHEMBL1476031 0.81 MAPKAPK5 (0.56) MAPKAPK5EGFRSYKFGFR1BRAF
SCHEMBL3805490 0.80 MAPKAPK5 (0.53) MAPKAPK5SYKPTK2
SCHEMBL3802993 0.80 MAPKAPK5 (0.48) MAPKAPK5SYKJAK2PTK2
SCHEMBL2220311 0.79 MAPKAPK5 (0.74) MAPKAPK5EGFRSYKSRCKDR
SCHEMBL3801248 0.79 MAPKAPK5 (0.47) MAPKAPK5SYKFGFR1JAK2PTK2

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