SCHEMBL4437532

SCHEMBL4437532

CC(C)(C)OC(=O)N(c1ncnc2[nH]ccc12)C1(C(=O)Nc2cccc(OCc3ccccc3)c2N)CCNCC1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 10/20 0.37
JAK1 P23458 16/20 0.36
JAK2 O60674 14/20 0.36
CSF1R P07333 1/20 0.36
TYK2 P29597 6/20 0.33
BRAF P15056 1/20 0.33

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
SCHEMBL4437639 0.91 JAK3 (0.37) JAK3JAK1JAK2CSF1RTYK2
SCHEMBL4441603 0.89 BRD4 (0.33)
SCHEMBL4448265 0.79 HTR1A (0.31)
SCHEMBL4440002 0.79 JAK1 (0.39) JAK3JAK1JAK2BRAF
SCHEMBL4438467 0.79 AAK1 (0.40) JAK3JAK1JAK2BRAF
SCHEMBL3647805 0.77 JAK3 (0.38) JAK3JAK1JAK2CSF1RTYK2
SCHEMBL3489438 0.75 AKT2 (0.44) JAK3
SCHEMBL3655001 0.72 JAK1 (0.38) JAK3JAK1JAK2TYK2BRAF
SCHEMBL3652666 0.71 AKT1 (0.38) JAK3JAK1JAK2TYK2
SCHEMBL3655831 0.71 JAK1 (0.38) JAK3JAK1JAK2TYK2BRAF

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-2125805-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY Astex Therapeutics Limited (GB) 2009-12-02 EP disclosed
WO-2008075109-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2008-06-26 WO disclosed