Sugi Predict

Sugi Predict / Compounds / SCHEMBL28679461

SCHEMBL28679461

SCHEMBL28679461

O=C(Nc1ccc(F)c(N(c2ccccn2)c2ncnc3[nH]cnc23)c1)c1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 14/20 0.49
▸ KDR P35968 4/20 0.47
▸ GRM4 Q14833 2/20 0.47
▸ KCNQ3 O43525 1/20 0.43
▸ KCNQ2 O43526 1/20 0.43
▸ KCNE1 P15382 1/20 0.43
▸ KCNQ1 P51787 1/20 0.43
▸ AURKA O14965 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41

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
SCHEMBL28675899 0.88 CES1 (0.45) GRM4KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL28677736 0.87 KDR (0.49) BRAFKDRKCNQ3KCNQ2KCNE1
SCHEMBL28662380 0.86 POLB (0.45) BRAFKDR
SCHEMBL28675927 0.85 NTRK1 (0.41) KDRGRM4AURKAAURKB
SCHEMBL28661015 0.85 KDR (0.46) KDRGRM4AURKA
SCHEMBL28688944 0.81 KDR (0.49) KDR
SCHEMBL28930236 0.81 KDR (0.52) BRAFKDR
SCHEMBL28688936 0.81 KDR (0.49) KDR
SCHEMBL28666427 0.79 KDR (0.49) BRAFKDR
SCHEMBL28679421 0.79 KDR (0.49) BRAFKDR

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
CN-109071543-B Pyridine derivatives inhibiting RAF kinase and vascular endothelial growth factor receptor, process for their preparation, pharmaceutical compositions containing them and their use 三进制药株式会社 2021-07-16 — — CN claimed