SCHEMBL29620954

SCHEMBL29620954

Oc1cccnc1Nc1ncc(-c2ccc(OC(F)(F)F)cc2)o1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.44
▸ TLR7 Q9NYK1 1/20 0.43
▸ KDR P35968 4/20 0.41
▸ VCP P55072 3/20 0.41
▸ P2RY1 P47900 1/20 0.41
▸ TRPV1 Q8NER1 6/20 0.40
▸ FLT1 P17948 2/20 0.39
▸ FLT4 P35916 2/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ NPY5R Q15761 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ IMPDH2 P12268 1/20 0.36

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
SCHEMBL29620901 0.85 TRPV1 (0.54) TLR7KDRVCPP2RY1TRPV1
SCHEMBL29621004 0.82 ACHE (0.49) DHODHTLR7KDRFLT1
SCHEMBL22925921 0.77 VCP (0.46) KDRVCPTRPV1FLT1FLT4
SCHEMBL29620940 0.77 VCP (0.46) KDRVCPTRPV1FLT1FLT4
SCHEMBL22925920 0.72 KDR (0.47) KDRVCPTRPV1FLT1FLT4
SCHEMBL29620883 0.72 KDR (0.47) KDRVCPTRPV1FLT1FLT4
SCHEMBL28939252 0.71 KDR (0.42) KDRTRPV1FLT1FLT4IMPDH2
SCHEMBL29620896 0.71 TRPV1 (0.52) KDRVCPTRPV1FLT1FLT4
SCHEMBL28733810 0.70 IMPDH2 (0.44) DHODHKDRVCPFLT1FLT4
SCHEMBL29620982 0.70 IMPDH2 (0.44) DHODHKDRVCPFLT1FLT4

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
CN-114450281-B Inhibitor compounds 辛塞拉治疗私人有限公司 2024-08-16 — — CN disclosed
CN-114450281-A Inhibitor compounds 辛塞拉治疗私人有限公司 2022-05-06 — — CN disclosed
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