Cyclopropane

Cyclopropane

SCHEMBL9107860

C1CC1.O=C(O)Nc1cc(Cn2ccc3c(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cccc32)ccn1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 11/20 0.43
KDR P35968 8/20 0.43
EPHB4 P54760 1/20 0.43
TEK Q02763 1/20 0.43
RIPK1 Q13546 2/20 0.42
PTGER3 P43115 1/20 0.40
NR3C2 P08235 1/20 0.39
FGFR1 P11362 1/20 0.39
FGFR4 P22455 1/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
MARK3 P27448 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
PRKCZ Q05513 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PAK1 Q13153 1/20 0.38

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
SCHEMBL5611567 0.90 MAPK14 (0.47) BRAFKDREPHB4TEKRIPK1
SCHEMBL9885318 0.90 KDR (0.55) BRAFKDR
Cyclopropane SCHEMBL9104865 0.89 KDR (0.45) BRAFKDREPHB4TEKPTGER3
SCHEMBL5959715 0.89 KDR (0.44) BRAFKDREPHB4TEKRIPK1
SCHEMBL5586125 0.88 KDR (0.42) BRAFKDREPHB4TEKRIPK1
SCHEMBL5959843 0.87 KDR (0.43) BRAFKDREPHB4TEKRIPK1
SCHEMBL5592775 0.86 RIPK1 (0.49) BRAFKDREPHB4TEKRIPK1
SCHEMBL5612386 0.86 KDR (0.45) BRAFKDREPHB4TEKRIPK1
SCHEMBL5586037 0.85 RIPK1 (0.46) BRAFKDREPHB4TEKRIPK1
SCHEMBL5612143 0.85 EPHB4 (0.52) BRAFKDREPHB4TEKRIPK1

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-1858879-B1 1,3-DIARYL SUBSTITUTED UREAS AS MODULATORS OF KINASE ACTIVITY GILEAD CONNECTICUT INC (US) 2012-06-06 EP claimed