SCHEMBL24714059

SCHEMBL24714059

CCOc1cc2ncnc(Nc3cc(-c4ccc(F)cc4F)ccc3OC)c2cc1OC(CC)CC

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.56
FLT1 P17948 4/20 0.56
FGFR1 P11362 2/20 0.56
EGFR P00533 10/20 0.52
FBP1 P09467 2/20 0.50
BRAF P15056 2/20 0.47
RAF1 P04049 1/20 0.47
RET P07949 3/20 0.46
KIF5B P33176 3/20 0.46
ERBB2 P04626 2/20 0.46
EPHB2 P29323 1/20 0.46
FLT4 P35916 1/20 0.46
TNNI3K Q59H18 1/20 0.46

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
SCHEMBL24714932 0.83 KDR (0.52) KDRFLT1FGFR1EGFRRET
SCHEMBL24713892 0.83 KDR (0.54) KDRFLT1FGFR1EGFRFBP1
SCHEMBL24714485 0.82 KDR (0.60) KDRFLT1FGFR1EGFRRET
SCHEMBL27151754 0.82 KDR (0.55) KDRFLT1FGFR1EGFRFBP1
SCHEMBL24714001 0.82 BRAF (0.63) KDRFLT1FGFR1EGFRBRAF
SCHEMBL24714671 0.81 KDR (0.49) KDRFLT1FGFR1EGFRFBP1
SCHEMBL24715171 0.80 EGFR (0.61) KDRFLT1FGFR1EGFRRET
SCHEMBL24713941 0.80 KDR (0.49) KDRFLT1FGFR1EGFRRET
SCHEMBL24714666 0.80 KDR (0.46) KDRFLT1FGFR1EGFRRET
SCHEMBL24715206 0.79 KDR (0.53) KDRFLT1FGFR1EGFRFBP1

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
WO-2022225238-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF 보로노이 주식회사 2022-10-27 WO disclosed