SCHEMBL4565989

SCHEMBL4565989

CCCCCn1cc(C(N)=O)c(N)n1.CCCCCn1ncc(C(N)=O)c1N

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
KDR P35968 5/20 0.39
MAPK14 Q16539 1/20 0.37

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
SCHEMBL2076854 0.87 KDR (0.48) KDR
SCHEMBL2078386 0.87 TSHR (0.51) TSHRMAPK14
SCHEMBL27472808 0.83 TSHR (0.52) TSHRMAPK14
SCHEMBL2076844 0.77 L3MBTL1 (0.40) KDR
SCHEMBL2862025 0.77 TSHR (0.55) TSHRMAPK14
SCHEMBL7811465 0.76 MAPK14 (0.43) MAPK14
SCHEMBL3173105 0.74 TSHR (0.44) TSHR
SCHEMBL4354692 0.73 TSHR (0.43) TSHR
SCHEMBL5499546 0.73 TSHR (0.56) TSHRMAPK14
SCHEMBL28036519 0.72 MAPK14 (0.46) MAPK14

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-2024360-A2 SUBSTITUTED PYRAZOLOPYRIMIDINES Cephalon, Inc. (US) 2009-02-18 EP disclosed
WO-2008063232-A2 SUBSTITUTED PYRAZOLOPYRIMIDINES CEPHALON, INC. (US) 2008-05-29 WO disclosed