SCHEMBL1940016

SCHEMBL1940016

COc1cccc(C(=O)c2cn(C(C)C)c3ncnc(N)c23)c1NS(=O)(=O)c1ccc(F)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EIF2AK3 Q9NZJ5 8/20 0.54
NTRK1 P04629 3/20 0.48
NTRK3 Q16288 2/20 0.48
NTRK2 Q16620 2/20 0.48
PDGFRB P09619 1/20 0.48
KCNH2 Q12809 2/20 0.47
RET P07949 1/20 0.42
PDPK1 O15530 6/20 0.42
AKT1 P31749 4/20 0.42
MTOR P42345 4/20 0.42
LCK P06239 1/20 0.41
KDR P35968 1/20 0.41
TEK Q02763 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
SCHEMBL1940442 0.88 EIF2AK3 (0.51) EIF2AK3NTRK1NTRK3NTRK2PDGFRB
SCHEMBL1940666 0.86 EIF2AK3 (0.53) EIF2AK3NTRK1NTRK3NTRK2PDGFRB
SCHEMBL1939941 0.80 PDGFRB (0.55) EIF2AK3NTRK1NTRK3NTRK2PDGFRB
SCHEMBL1941822 0.80 NTRK1 (0.49) EIF2AK3NTRK1NTRK3NTRK2PDGFRB
SCHEMBL1940570 0.79 PDGFRB (0.54) EIF2AK3NTRK1NTRK3NTRK2PDGFRB
SCHEMBL1939645 0.79 PDGFRB (0.53) EIF2AK3NTRK1NTRK3NTRK2PDGFRB
SCHEMBL1940703 0.78 EIF2AK3 (0.53) EIF2AK3NTRK1NTRK3NTRK2PDGFRB
SCHEMBL1939957 0.77 PDGFRB (0.51) EIF2AK3NTRK1NTRK3NTRK2PDGFRB
SCHEMBL1941208 0.77 PDGFRB (0.51) EIF2AK3NTRK1NTRK3NTRK2PDGFRB
SCHEMBL1940451 0.77 PDGFRB (0.50) EIF2AK3NTRK1NTRK3NTRK2PDGFRB

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-1578751-B1 PYRROLOPYRIMIDINE DERIVATIVES PFIZER PROD INC (US) 2011-06-15 EP claimed