SCHEMBL4791492

SCHEMBL4791492

Nc1ncc(C#Cc2cccc(NC(=O)Nc3cc(CC4CC4)n[nH]3)c2)cn1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 6/20 0.43
▸ LCK P06239 3/20 0.43
▸ TEK Q02763 3/20 0.43
▸ KCNJ6 P48051 4/20 0.39
▸ KCNJ5 P48544 4/20 0.39
▸ KCNJ3 P48549 4/20 0.39
▸ HAO1 Q9UJM8 1/20 0.39
▸ CCR3 P51677 5/20 0.37
▸ PDGFRB P09619 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ DDX3X O00571 1/20 0.35

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
SCHEMBL4716830 0.85 LCK (0.46) KDRLCKTEKPDGFRBDDX3X
SCHEMBL4791064 0.81 CCR3 (0.42) CCR3
SCHEMBL4791129 0.80 CCR3 (0.42) LCKCCR3
SCHEMBL4720860 0.76 KDR (0.57) KDRLCKTEKPDGFRBPOLB
SCHEMBL4714699 0.75 MEN1 (0.57) KDRLCKTEKPOLB
SCHEMBL4715827 0.74 MEN1 (0.60) KDRLCKTEKKCNJ6KCNJ5
SCHEMBL4714635 0.74 MAP4K4 (0.53) KDRLCKTEKPOLB
SCHEMBL4717465 0.73 LCK (0.56) KDRLCKTEKPDGFRBPOLB
SCHEMBL4719789 0.73 LCK (0.54) KDRLCKTEKPDGFRBPOLB
SCHEMBL4717511 0.73 LCK (0.56) KDRLCKTEKPOLB

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-1737463-B1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2008-12-03 — — EP claimed
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