SCHEMBL24714929

SCHEMBL24714929

CCCC(CC)Oc1cc2c(Nc3cc(-c4ccco4)ccc3OC)ncnc2cc1OC

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.54
MAPK1 P28482 1/20 0.50
RET P07949 8/20 0.46
KDR P35968 6/20 0.46
FLT1 P17948 1/20 0.46
ATM Q13315 1/20 0.44
KIF5B P33176 4/20 0.44
CLK1 P49759 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
LCK P06239 2/20 0.43

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
SCHEMBL24713875 0.96 EGFR (0.55) EGFRMAPK1RETKDRFLT1
SCHEMBL24714641 0.96 EGFR (0.56) EGFRMAPK1RETKDRFLT1
SCHEMBL24714943 0.94 EGFR (0.56) EGFRMAPK1RETKDRFLT1
SCHEMBL24714715 0.88 EGFR (0.53) EGFRMAPK1RETKDRFLT1
SCHEMBL24714620 0.86 KDR (0.48) EGFRMAPK1RETKDRFLT1
SCHEMBL24714050 0.85 KDR (0.50) EGFRMAPK1KDR
SCHEMBL24714922 0.83 MAPK1 (0.47) EGFRMAPK1RETKDRFLT1
SCHEMBL24713876 0.83 EGFR (0.56) EGFRMAPK1RETKDRFLT1
SCHEMBL24715171 0.82 EGFR (0.61) EGFRRETKDRFLT1ATM
SCHEMBL24714014 0.81 RET (0.55) EGFRRETKDRKIF5B

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