Cyclopropane

Cyclopropane

SCHEMBL9104865

C1CC1.COc1ccc(C(F)(F)F)cc1NC(=O)Nc1cccc2c1ccn2Cc1ccnc(NC(=O)O)c1

nearest known ligand 0.45

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.45
EPHB4 P54760 1/20 0.45
TEK Q02763 1/20 0.45
BRAF P15056 1/20 0.41
CLK2 P49760 1/20 0.41
IRAK1 P51617 1/20 0.41
NEK4 P51957 1/20 0.41
MAP4K2 Q12851 1/20 0.41
HIPK4 Q8NE63 1/20 0.41
SRPK1 Q96SB4 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
MAP3K20 Q9NYL2 1/20 0.41
STK17A Q9UEE5 1/20 0.41
MAP4K5 Q9Y4K4 1/20 0.41
RAF1 P04049 8/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
Cyclopropane SCHEMBL9107860 0.89 BRAF (0.43) KDREPHB4TEKBRAFHIPK4
Cyclopropane SCHEMBL9108474 0.89 MEN1 (0.46) EPHB4MAPTKDM4EMEN1LMNA
Cyclopropane SCHEMBL9104235 0.89 EPHB4 (0.43) KDREPHB4TEKMAPTKDM4E
SCHEMBL5586075 0.87 KDR (0.47) KDREPHB4TEKBRAFRAF1
SCHEMBL5586072 0.86 KDR (0.47) KDREPHB4TEKBRAFRAF1
SCHEMBL5593089 0.86 EPHB4 (0.54) KDREPHB4TEKBRAFRAF1
SCHEMBL5611567 0.81 MAPK14 (0.47) KDREPHB4TEKBRAFMAPK14
SCHEMBL5585966 0.80 MEN1 (0.48) EPHB4MAPTKDM4EMEN1LMNA
SCHEMBL5585926 0.80 KDR (0.44) KDREPHB4TEKMAPTKDM4E
SCHEMBL5586052 0.80 KDR (0.44) KDREPHB4TEKMAPTKDM4E

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