SCHEMBL23749490

SCHEMBL23749490

Nc1ccc(Oc2ccnc3cc(OCCCN4CCCCC4)c4c(c23)OCCO4)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RET P07949 9/20 0.55
KDR P35968 8/20 0.55
EHMT2 Q96KQ7 1/20 0.44
EHMT1 Q9H9B1 1/20 0.44
EGFR P00533 2/20 0.44
RAF1 P04049 1/20 0.42
BRAF P15056 1/20 0.42

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
SCHEMBL31441123 1.00 RET (0.55) RETKDREHMT2EHMT1EGFR
SCHEMBL23749286 0.93 RET (0.62) RETKDREGFRRAF1BRAF
SCHEMBL22781910 0.87 KDR (0.60) RETKDREGFRRAF1BRAF
SCHEMBL21751019 0.86 RAF1 (0.56) KDREGFRRAF1BRAF
SCHEMBL30664567 0.86 RAF1 (0.56) KDREGFRRAF1BRAF
SCHEMBL23749341 0.83 KDR (0.61) RETKDR
SCHEMBL21265689 0.83 RET (0.58) RETKDREGFRRAF1BRAF
SCHEMBL23749389 0.82 RET (0.58) RETKDREGFR
SCHEMBL23770980 0.81 RET (0.57) RETKDREGFRRAF1BRAF
SCHEMBL21246991 0.81 RET (0.62) RETKDREGFRRAF1BRAF

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
EP-3865487-A1 AROMATIC RING-LINKED DIOXANE-QUINAZOLINE OR -QUINOLINE COMPOUNDS, COMPOSITIONS AND USE THEREOF Beijing Scitech-MQ Pharmaceuticals Limited (CN) 2021-08-18 EP disclosed