SCHEMBL8566175

SCHEMBL8566175

COc1ccc2nc(Sc3ccc(NC(=S)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.56
BRAF P15056 6/20 0.56
FLT3 P36888 3/20 0.56
KIT P10721 2/20 0.56
EGFR P00533 3/20 0.47
TRPV1 Q8NER1 1/20 0.47
LMNA P02545 2/20 0.45
MAPT P10636 4/20 0.45
GAA P10253 3/20 0.45
RAB9A P51151 1/20 0.45
RAF1 P04049 3/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPK3 P27361 2/20 0.42
KDM4E B2RXH2 1/20 0.41
STAT1 P42224 1/20 0.41
APAF1 O14727 1/20 0.41

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
SCHEMBL8565704 0.89 KDR (0.58) KDRBRAFFLT3KITEGFR
SCHEMBL8561654 0.85 KDR (0.58) KDRBRAFFLT3KITEGFR
SCHEMBL8562462 0.76 KDR (0.54) KDRBRAFFLT3KITEGFR
SCHEMBL8564250 0.75 KDR (0.60) KDRBRAFFLT3KITTRPV1
SCHEMBL717224 0.75 KDR (0.63) KDRBRAFFLT3KITEGFR
SCHEMBL22164160 0.74 TRPV1 (0.48) KDRBRAFTRPV1LMNAMAPT
SCHEMBL8562560 0.74 BRAF (0.64) KDRBRAFFLT3KITEGFR
SCHEMBL8563685 0.73 KDR (0.54) KDRBRAFFLT3KITEGFR
SCHEMBL8561054 0.72 CTSD (0.57) KDRBRAFFLT3KITLMNA
SCHEMBL8562810 0.72 KDR (0.57) KDRBRAFFLT3KITEGFR

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
US-5814646-A TREATING THE PROGRESSION OF ALZHEIMER'S DISEASE, BRAIN DISORDERS ELI LILLY AND COMPANY (US) 1998-09-29 US disclosed
US-5624937-A TREATMENT OF ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 1997-04-29 US disclosed