SCHEMBL9249573

SCHEMBL9249573

CC=C[C@H]1CC[C@H](C#Cc2cnc(-c3ccc(Cl)c(F)c3)nc2)CC1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.31
PDGFRA P16234 1/20 0.31
PDE4A P27815 1/20 0.31
KMO O15229 1/20 0.31
EGLN2 Q96KS0 1/20 0.30

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
SCHEMBL9249568 1.00 PDGFRB (0.31) PDGFRBPDGFRAPDE4AKMOEGLN2
SCHEMBL9249562 1.00 PDGFRB (0.31) PDGFRBPDGFRAPDE4AKMOEGLN2
SCHEMBL9249549 1.00 PDGFRB (0.31) PDGFRBPDGFRAPDE4AKMOEGLN2
SCHEMBL9245762 0.90 PDGFRB (0.32) PDGFRBPDGFRA
SCHEMBL9245757 0.90 PDGFRB (0.32) PDGFRBPDGFRA
SCHEMBL9245767 0.90 PDGFRB (0.32) PDGFRBPDGFRA
SCHEMBL9245772 0.90 PDGFRB (0.32) PDGFRBPDGFRA
SCHEMBL9246411 0.89 CYP11B1 (0.32) PDE4A
SCHEMBL9246405 0.89 CYP11B1 (0.32) PDE4A
SCHEMBL9246379 0.89 CYP11B1 (0.32) PDE4A

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
US-5447657-A Liquid crystal compounds HOFFMANN-LA ROCHE INC. (US) 1995-09-05 US disclosed