SCHEMBL4392861

SCHEMBL4392861

CN1CCN(c2ccc(Nc3ncc(-c4ccc(C(=O)O)s4)n4ccnc34)cc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK5 Q8IW41 14/20 0.70
▸ FYN P06241 1/20 0.46
▸ FLT3 P36888 1/20 0.45
▸ WEE1 P30291 2/20 0.41
▸ ALK Q9UM73 1/20 0.40
▸ BRD4 O60885 1/20 0.40

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
SCHEMBL1674229 0.92 MAPKAPK5 (0.82) MAPKAPK5FYNFLT3
SCHEMBL14387682 0.89 MAPKAPK5 (0.69) MAPKAPK5FYNFLT3WEE1
SCHEMBL1674239 0.83 MAPKAPK5 (0.58) MAPKAPK5FYNWEE1ALK
SCHEMBL4392693 0.83 MAPKAPK5 (0.68) MAPKAPK5FYN
SCHEMBL2068531 0.82 MAPKAPK5 (1.00) MAPKAPK5FYNFLT3
SCHEMBL1674168 0.80 MAPKAPK5 (0.61) MAPKAPK5FYNFLT3BRD4
SCHEMBL1674362 0.78 MAPKAPK5 (0.83) MAPKAPK5FYNFLT3ALKBRD4
SCHEMBL2070836 0.78 MAPKAPK5 (0.81) MAPKAPK5FYN
SCHEMBL4387555 0.78 MAPKAPK5 (0.66) MAPKAPK5FYNBRD4
SCHEMBL1674183 0.77 MAPKAPK5 (0.63) MAPKAPK5FYNWEE1ALK

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-2027124-A1 IMIDAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES Galapagos N.V. (BE) 2009-02-25 — — EP claimed
WO-2007131991-A1 IMIDAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2007-11-22 — — WO claimed
Send feedback