SCHEMBL20344713

SCHEMBL20344713

CCC(C)c1cc(C(=O)Nc2ccc(-c3cn(C)c4ncnc(N)c34)cc2)c(=O)n(-c2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 16/20 0.56
▸ MET P08581 14/20 0.56
▸ MERTK Q12866 2/20 0.46
▸ FLT3 P36888 1/20 0.46
▸ SRC P12931 2/20 0.46
▸ EGFR P00533 1/20 0.46
▸ KDR P35968 1/20 0.46

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
SCHEMBL18044588 0.86 AXL (0.59) AXLMETMERTKFLT3SRC
SCHEMBL18044611 0.84 AXL (0.57) AXLMETMERTKFLT3SRC
SCHEMBL16709459 0.84 AXL (0.59) AXLMETMERTKFLT3SRC
SCHEMBL18044640 0.83 AXL (0.54) AXLMETMERTKFLT3SRC
SCHEMBL16709405 0.83 AXL (0.57) AXLMETMERTKFLT3
SCHEMBL20344602 0.82 AXL (0.57) AXLMETMERTKFLT3
SCHEMBL18044626 0.82 AXL (0.55) AXLMETMERTKFLT3KDR
Trifluoroacetic Acid SCHEMBL18044744 0.82 AXL (0.57) AXLMETMERTKFLT3SRC
SCHEMBL18045166 0.81 AXL (0.52) AXLMETMERTKFLT3SRC
SCHEMBL18045151 0.81 AXL (0.55) AXLMETMERTKFLT3

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-3067356-B1 PYRROLO PYRIMIDINE DERIVATIVE ONO PHARMACEUTICAL CO (JP) 2018-07-04 — — EP disclosed
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