SCHEMBL29620883

SCHEMBL29620883

COc1ccc(Nc2ncc(-c3ccc(OC(F)(F)F)cc3)o2)nc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.47
FLT1 P17948 7/20 0.47
FLT4 P35916 7/20 0.47
IMPDH2 P12268 1/20 0.43
TP53 P04637 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
VCP P55072 1/20 0.41
CHRNA7 P36544 4/20 0.40
CLK1 P49759 1/20 0.38
DYRK1A Q13627 1/20 0.38
ALOX5 P09917 1/20 0.38
APP P05067 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL22925920 1.00 KDR (0.47) KDRFLT1FLT4IMPDH2TP53
SCHEMBL22925774 0.88 TRPV1 (0.48) KDRFLT1FLT4IMPDH2TRPV1
SCHEMBL22925921 0.86 VCP (0.46) KDRFLT1FLT4TP53TRPV1
SCHEMBL29620940 0.86 VCP (0.46) KDRFLT1FLT4TP53TRPV1
SCHEMBL22925908 0.82 GSK3B (0.55) TP53KDM4EALDH1A1HPGD
SCHEMBL29620989 0.82 GSK3B (0.55) TP53KDM4EALDH1A1HPGD
SCHEMBL28939252 0.80 KDR (0.42) KDRFLT1FLT4IMPDH2TP53
SCHEMBL29620994 0.79 KDR (0.37) KDRFLT1FLT4TP53TRPV1
SCHEMBL28733789 0.78 KDR (0.36) KDRFLT1FLT4IMPDH2TP53
SCHEMBL22925922 0.75 KDR (0.36) KDRFLT1FLT4TP53TRPV1

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 3 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
EP-4003986-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2022-06-01 EP disclosed
CN-114450281-A Inhibitor compounds 辛塞拉治疗私人有限公司 2022-05-06 CN disclosed