SCHEMBL18757010

SCHEMBL18757010

CNCc1cccc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)nc2)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 4/20 0.58
▸ NTRK1 P04629 2/20 0.57
▸ STAT6 P42226 9/20 0.51
▸ JAK1 P23458 1/20 0.50
▸ TTK P33981 1/20 0.50
▸ JAK3 P52333 1/20 0.50
▸ PKMYT1 Q99640 1/20 0.48
▸ INSR P06213 1/20 0.48
▸ PLK4 O00444 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ AURKB Q96GD4 1/20 0.47

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
SCHEMBL12525667 0.83 AOC3 (0.59) —
SCHEMBL12523890 0.80 STAT6 (0.54) JAK2NTRK1STAT6JAK1TTK
SCHEMBL1038303 0.75 PRMT6 (0.72) NTRK1MAPT
SCHEMBL18757112 0.74 SIGMAR1 (0.45) MAPK1
SCHEMBL30052705 0.74 JAK2 (1.00) JAK2JAK1JAK3PLK4
SCHEMBL2880284 0.74 JAK2 (1.00) JAK2JAK1JAK3PLK4
SCHEMBL12615134 0.73 SYK (0.55) STAT6INSRPLK4TP53MAPT
SCHEMBL16530422 0.72 INSR (0.68) JAK2NTRK1STAT6JAK1TTK
SCHEMBL18757044 0.72 LTA4H (0.53) TP53AURKB
SCHEMBL13725016 0.72 JAK2 (0.72) JAK2JAK1JAK3PLK4

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-3002278-B1 GUANIDINE COMPOUND ASTELLAS PHARMA INC (JP) 2017-04-19 — — EP disclosed
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