SCHEMBL4597593

SCHEMBL4597593

Cc1ccc(N(C)CC(=O)c2ccc(F)cc2)cc1Nc1ncc(-c2ccncc2)o1.Cc1ccc(NCC(=O)c2ccc(F)cc2)cc1Nc1ncc(-c2ccncc2)o1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
KIT P10721 5/20 0.39
FLT1 P17948 3/20 0.37
FLT4 P35916 3/20 0.37
KDR P35968 3/20 0.37
GSK3B P49841 1/20 0.37
VCP P55072 1/20 0.34
ALDH1A1 P00352 2/20 0.33
AGTR1 P30556 2/20 0.33
ABL1 P00519 4/20 0.32
EGFR P00533 1/20 0.32
PRKCA P17252 1/20 0.32
BCR P11274 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ABL2 P42684 1/20 0.31
IMPDH2 P12268 1/20 0.31
BRAF P15056 1/20 0.31

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
SCHEMBL2348180 0.93 ALOX5 (0.44) ALOX5KITFLT1FLT4KDR
SCHEMBL2346522 0.91 ALOX5 (0.48) ALOX5KITFLT1FLT4KDR
SCHEMBL2344918 0.85 EGFR (0.42) KITFLT1FLT4KDRVCP
SCHEMBL10033775 0.84 EGFR (0.43) ALOX5KITFLT1FLT4KDR
SCHEMBL2343197 0.83 ALDH1A1 (0.47) KITFLT1FLT4KDRGSK3B
SCHEMBL2341833 0.83 FLT1 (0.44) KITFLT1FLT4KDRVCP
SCHEMBL10033774 0.82 ALOX5 (0.43) ALOX5KITKDRABL1EGFR
SCHEMBL10033776 0.80 ALOX5 (0.47) ALOX5KITFLT1FLT4KDR
SCHEMBL2338367 0.80 ALOX5 (0.47) ALOX5KITFLT1FLT4KDR
SCHEMBL543606 0.73 ALOX5 (0.46) ALOX5KITFLT1FLT4KDR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874305-A2 SUBSTITUTED OXAZOLE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS AB Science (FR) 2008-01-09 EP claimed
WO-2006106437-A2 SUBSTITUTED OXAZOLE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS AB SCIENCE (FR) 2006-10-12 WO claimed