SCHEMBL15225858

SCHEMBL15225858

CC(C)(C)C(Cc1ccc(-c2cc3nccc(Cl)c3s2)cc1)(OC(N)=O)C1CCCO1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 4/20 0.35
▸ FLT1 P17948 4/20 0.35
▸ MAP3K8 P41279 2/20 0.33
▸ SRC P12931 4/20 0.32
▸ IRAK4 Q9NWZ3 2/20 0.32
▸ STK17B O94768 3/20 0.32
▸ CHEK1 O14757 1/20 0.32
▸ NTRK1 P04629 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MET P08581 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ MCHR1 Q99705 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
SCHEMBL3565103 0.75 POLB (0.45) —
SCHEMBL15225860 0.73 SLC6A3 (0.35) MAP3K8STK17BCHEK1SMN1; SMN2MCHR1
SCHEMBL3626959 0.72 POLB (0.47) —
SCHEMBL15225861 0.69 HTT (0.41) MAPK1SMN1; SMN2
SCHEMBL3565107 0.69 STK17B (0.38) MAP3K8STK17BMAPK1MCHR1
SCHEMBL5089101 0.67 STK17B (0.36) MAP3K8STK17BSMN1; SMN2
SCHEMBL3567024 0.64 EGFR (0.41) EGFRFLT1SRCMETKDR
SCHEMBL3567019 0.64 EGFR (0.41) EGFRFLT1SRCMETKDR
SCHEMBL13185371 0.64 MCHR1 (0.56) EGFRFLT1SRCMCHR1
SCHEMBL2533961 0.63 MCHR1 (0.32) EGFRFLT1MAP3K8SRCSTK17B

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-1781664-B1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC (CA) 2013-09-04 — — EP disclosed
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