SCHEMBL28806059

SCHEMBL28806059

CCCCc1cc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)nc(Cl)n1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 2/20 0.56
▸ BTK Q06187 2/20 0.56
▸ AURKA O14965 3/20 0.49
▸ PDPK1 O15530 3/20 0.49
▸ AURKB Q96GD4 3/20 0.49
▸ MAP4K4 O95819 2/20 0.49
▸ HRH4 Q9H3N8 1/20 0.45
▸ SYK P43405 1/20 0.44
▸ EGFR P00533 1/20 0.44
▸ LCK P06239 1/20 0.44
▸ SUV39H2 Q9H5I1 7/20 0.44
▸ RET P07949 1/20 0.44
▸ PDE10A Q9Y233 1/20 0.43
▸ KIF18A Q8NI77 1/20 0.41

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
SCHEMBL12486599 0.94 JAK3 (0.58) JAK3BTKAURKAPDPK1AURKB
SCHEMBL12486601 0.94 JAK3 (0.58) JAK3BTKAURKAPDPK1AURKB
SCHEMBL12484351 0.89 BTK (0.51) JAK3BTKAURKAPDPK1AURKB
SCHEMBL12484356 0.89 BTK (0.51) JAK3BTKAURKAPDPK1AURKB
SCHEMBL12484536 0.87 HRH4 (0.49) JAK3BTKHRH4SYK
SCHEMBL12485681 0.87 HRH4 (0.49) JAK3BTKHRH4
SCHEMBL12484534 0.87 HRH4 (0.49) JAK3BTKHRH4SYK
SCHEMBL24851725 0.81 BTK (0.57) JAK3BTKAURKAPDPK1AURKB
SCHEMBL12486446 0.81 PDCD1LG2 (0.43) JAK3BTKHRH4SYK
SCHEMBL12485004 0.81 HRH4 (0.56) HRH4SUV39H2

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
CN-103391935-A Diaminopyrimidine derivatives and process for preparing same YUHAN CORP 2013-11-13 — — CN disclosed
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