SCHEMBL4716830

SCHEMBL4716830

CC(C)(C)Cc1cc(NC(=O)Nc2cccc(C#Cc3cnc(N)nc3)c2)[nH]n1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 5/20 0.46
▸ TEK Q02763 4/20 0.46
▸ KDR P35968 9/20 0.44
▸ PDGFRB P09619 3/20 0.38
▸ RET P07949 1/20 0.37
▸ KIT P10721 2/20 0.37
▸ PDGFRA P16234 1/20 0.37
▸ CSNK1A1 P48729 1/20 0.37
▸ DDX3X O00571 1/20 0.36
▸ ABL1 P00519 2/20 0.36
▸ BCR P11274 2/20 0.36
▸ GRM5 P41594 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
SCHEMBL4791492 0.85 KDR (0.43) LCKTEKKDRPDGFRBDDX3X
SCHEMBL4717717 0.84 ACACB (0.37) KDRPDGFRBKITPDGFRA
SCHEMBL4720860 0.78 KDR (0.57) LCKTEKKDRPDGFRBDDX3X
SCHEMBL4719789 0.77 LCK (0.54) LCKTEKKDRPDGFRBGRM5
SCHEMBL4714699 0.77 MEN1 (0.57) LCKTEKKDR
SCHEMBL4720016 0.76 RAF1 (0.52) LCKTEKKDRPDGFRB
SCHEMBL4715827 0.76 MEN1 (0.60) LCKTEKKDRGRM5
SCHEMBL4717511 0.74 LCK (0.56) LCKTEKKDRGRM5
SCHEMBL4717465 0.74 LCK (0.56) LCKTEKKDRPDGFRBDDX3X
SCHEMBL4714883 0.74 CDK8 (0.56) LCKTEK

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 disclosed
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