SCHEMBL29168733

SCHEMBL29168733

COc1cc2ncnc(Nc3cc(-c4ccco4)ccc3OC)c2cc1N

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.54
RET P07949 6/20 0.47
KDR P35968 5/20 0.47
MAPK1 P28482 1/20 0.47
FLT1 P17948 1/20 0.47
KIF5B P33176 2/20 0.46
CLK1 P49759 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
HTT P42858 1/20 0.45

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
SCHEMBL30820451 1.00 EGFR (0.54) EGFRRETKDRMAPK1FLT1
SCHEMBL24714014 0.88 RET (0.55) EGFRRETKDRKIF5B
SCHEMBL27151646 0.84 EGFR (0.54) EGFRRETKDRMAPK1HTT
SCHEMBL30820598 0.84 ABCG2 (0.59) EGFRRETKDRMAPK1FLT1
SCHEMBL24714641 0.83 EGFR (0.56) EGFRRETKDRMAPK1FLT1
SCHEMBL24713876 0.83 EGFR (0.56) EGFRRETKDRMAPK1FLT1
SCHEMBL24713875 0.82 EGFR (0.55) EGFRRETKDRMAPK1FLT1
SCHEMBL24714943 0.81 EGFR (0.56) EGFRRETKDRMAPK1FLT1
SCHEMBL30822096 0.81 EGFR (0.57) EGFRKDR
SCHEMBL24714929 0.81 EGFR (0.54) EGFRRETKDRMAPK1FLT1

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-117693505-A Heteroaryl derivative compounds and uses thereof 沃若诺伊公司 2024-03-12 CN disclosed