SCHEMBL24037705

SCHEMBL24037705

Oc1cc2c(O)ncnc2cc1F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.41
RET P07949 10/20 0.41
KIF5B P33176 10/20 0.41
EGFR P00533 3/20 0.38
RIPK2 O43353 1/20 0.38
NOD1 Q9Y239 1/20 0.38
RAF1 P04049 3/20 0.36
BRAF P15056 3/20 0.36
FGFR1 P11362 1/20 0.34
FLT1 P17948 1/20 0.34
IGFBP5 P24593 1/20 0.32
CA3 P07451 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31

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
SCHEMBL1011251 0.88 IRAK4 (0.39) KDRRETKIF5BEGFRRIPK2
SCHEMBL18013039 0.83 EGFR (0.42) KDRRETKIF5BEGFRRIPK2
SCHEMBL3320604 0.81 RET (0.31) KDRRETKIF5BEGFRRIPK2
SCHEMBL25552038 0.81 EGFR (0.40) KDRRETKIF5BEGFRRIPK2
SCHEMBL13195987 0.81 MAP4K4 (0.41) KDRRETKIF5BEGFRRIPK2
SCHEMBL15971471 0.81 IRAK4 (0.40) KDRRETKIF5BEGFRRIPK2
SCHEMBL30562969 0.78 KMO (0.35) KDRRETKIF5BEGFRRAF1
SCHEMBL21664330 0.78 KMO (0.35) KDRRETKIF5BEGFRRAF1
SCHEMBL21456827 0.77 EGFR (0.37) KDRRETKIF5BEGFRRIPK2
SCHEMBL22323303 0.77 TRPA1 (0.50) KDRRETKIF5BEGFRRIPK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021231400-A1 BIS-ARYL ETHERS CONTAINING N-ACYL AZETIDINE AS EGFR/HER2 INHIBITORS ACCUTAR BIOTECHNOLOGY, INC. (US) 2021-11-18 WO disclosed
WO-2021231400-A1 BIS-ARYL ETHERS CONTAINING N-ACYL AZETIDINE AS EGFR/HER2 INHIBITORS ACCUTAR BIOTECHNOLOGY, INC. (US) 2021-11-18 WO disclosed