SCHEMBL1399882

SCHEMBL1399882

NC(=O)c1ccc(-c2ccc(Nc3ccc(N4CCN(C5CC5)CC4)cc3)c3ncnn23)cc1.NC(=O)c1ccc(-c2ccc(Nc3ccc(N4CCN(C5CCC5)CC4)cc3)c3ncnn23)cc1.NC(=O)c1ccc(-c2ccc(Nc3ccc(N4CCN(C5CCCCC5)CC4)cc3)c3ncnn23)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.42
MAPKAPK5 Q8IW41 1/20 0.42
JAK2 O60674 4/20 0.40
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
CDK6 Q00534 1/20 0.39
JAK3 P52333 4/20 0.39
BTK Q06187 2/20 0.39
NTRK1 P04629 1/20 0.38
NTRK2 Q16620 1/20 0.38
CSF1R P07333 2/20 0.38
JAK1 P23458 2/20 0.37
TBK1 Q9UHD2 2/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
SYK P43405 1/20 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
SCHEMBL1046083 0.98 MAPKAPK5 (0.44) HRH3MAPKAPK5JAK2CDK4CCND1
SCHEMBL1046040 0.97 HRH3 (0.44) HRH3MAPKAPK5JAK2CDK4CCND1
SCHEMBL1046529 0.96 MAPKAPK5 (0.45) HRH3MAPKAPK5JAK2CDK4CCND1
SCHEMBL1048653 0.84 MAPKAPK5 (0.58) MAPKAPK5JAK2JAK3JAK1TBK1
SCHEMBL10134407 0.83 MAPKAPK5 (0.56) HRH3MAPKAPK5JAK2CDK4CCND1
SCHEMBL10134415 0.82 MAPKAPK5 (0.56) HRH3MAPKAPK5JAK2CDK4CCND1
SCHEMBL1045287 0.82 MAPKAPK5 (0.45) MAPKAPK5JAK2CDK6
SCHEMBL1046936 0.81 MAPKAPK5 (0.44) MAPKAPK5JAK2JAK3SYK
SCHEMBL10134447 0.80 MAPKAPK5 (0.58) HRH3MAPKAPK5JAK2JAK3BTK
SCHEMBL1044218 0.80 MAPKAPK5 (0.44) MAPKAPK5JAK2JAK3SYK

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-2086540-B8 TRIAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2011-03-02 EP claimed