SCHEMBL8564250

SCHEMBL8564250

O=C(Nc1ccc(Sc2ccc3ccccc3n2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.60
BRAF P15056 3/20 0.60
KIT P10721 2/20 0.60
FLT3 P36888 2/20 0.60
CTSD P07339 1/20 0.56
TRPV1 Q8NER1 11/20 0.53
GRM4 Q14833 1/20 0.51
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50

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
SCHEMBL8561654 0.90 KDR (0.58) KDRBRAFKITFLT3CTSD
SCHEMBL8565704 0.80 KDR (0.58) KDRBRAFKITFLT3CTSD
SCHEMBL19668250 0.79 KDR (0.78) KDRTRPV1CA1CA2CA7
SCHEMBL13945948 0.77 KDR (0.60) KDRBRAFKITFLT3GRM4
SCHEMBL18615348 0.77 KDR (0.85) KDRTRPV1GRM4CA1CA2
SCHEMBL13945850 0.77 KDR (0.69) KDRBRAFKITFLT3CA7
SCHEMBL8561054 0.76 CTSD (0.57) KDRBRAFKITFLT3CTSD
Cloflucarban SCHEMBL119821 0.76 KDR (0.88) KDRTRPV1CA1CA2CA7
Cloflucarban SCHEMBL27537485 0.76 KDR (0.88) KDRTRPV1CA1CA2CA7
SCHEMBL118026 0.76 KDR (1.00) KDRTRPV1GRM4CA1CA2

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